SCHEMBL7899430

SCHEMBL7899430

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 0.84
PAX8 Q06710 5/20 0.84
HSP90AA1 P07900 4/20 0.84
MEN1 O00255 8/20 0.77
KMT2A Q03164 8/20 0.77
THRB P10828 7/20 0.77
BLM P54132 7/20 0.77
RECQL P46063 6/20 0.77
BRCA1 P38398 6/20 0.77
TOP2A P11388 5/20 0.77
TDP1 Q9NUW8 5/20 0.77
HIF1A Q16665 5/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
MAPT P10636 4/20 0.77
MAPK1 P28482 4/20 0.77
PTGS1 P23219 3/20 0.77
CHRM1 P11229 3/20 0.77
TBXA2R P21731 3/20 0.77
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 3/20 0.77

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5327415 0.95 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL10608068 0.95 S100A4 (0.78) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL25015224 0.94 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL27337885 0.94 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL30260668 0.94 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL162675 0.94 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL15646425 0.93 S100A4 (0.81) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL22589715 0.92 S100A4 (0.81) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL31238308 0.92 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL7805182 0.92 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4177264-A ANITCARCINOGENIC AGENTS SRI INTERNATIONAL (US) 1979-12-04 US claimed
US-6184365-B1 3,4-DI-O,N-PROTECTED-4-AMINO-2,4,6-TRIDEOXY-2-FLUORO-L-TALOPYR ANOSYL IODIDE OR BROMIDE; CHEMICAL INTERMEDIATES FOR PRODUCTION OF NOVEL DAUNOMYCINONE OR ADRIAMYCINONE DERIVATIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2001-02-06 US disclosed
US-6075135-A CHEMICAL INTERMEDIATE FOR PRODUCTION OF DAUNORUBICIN OR ADRIAMYCIN DERIVATIVES WITH HIGH WATER SOLUBILITY WHICH ARE USED AS INJECTABLE ANTICARCINOGENIC/ANTITUMOR AGENTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2000-06-13 US disclosed
US-5958889-A HIGH ANTICANCER OR ANTITUMOR ACTIVITY WITH LOW TOXICITY ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1999-09-28 US disclosed
EP-0749976-B1 ANTHRACYCLINE DERIVATIVES CONTAINING TRIFLUOROMETHYLATED SUGAR UNIT ZAIDAN HOJIN BISEIBUTSU (JP) 1999-04-28 EP disclosed
US-5801257-A DAUNOMYCIN ANTITUMOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-09-01 US disclosed
EP-0848010-A1 Novel anthracycline derivatives having 4-amino-2,4,6-trideoxy-2-fluoro-alpha-L-talopyranosyl group ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-06-17 EP disclosed
EP-0834517-A1 NOVEL ANTHRACYCLINE DERIVATIVES HAVING 4-AMINO-2,4,6-TRIDEOXY-2-FLUORO-MANNOPYRANOSYL GROUP ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-04-08 EP disclosed
US-5719130-A HIGH ANTITUMOR ACTIVITY, LOWER TOXICITY ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-02-17 US disclosed
EP-0749976-A1 NOVEL ANTHRACYCLINE DERIVATIVES CONTAINING TRIFLUOROMETHYLATED SUGAR UNIT ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-12-27 EP disclosed
EP-0270992-B1 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE AG (DE) 1994-06-08 EP disclosed
EP-0230322-B1 2,6-DIDEOXY-2-FLUORO-L-TALOPYRANOSE AND DERIVATES THEREOF AND THE PRODUCTION OF THESE COMPOUNDS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1993-07-21 EP disclosed
EP-0230013-B1 NEW ANTHRACYCLINE DERIVATIVES, USES THEREOF AS ANTITUMOR AGENT AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1992-06-17 EP disclosed
US-5034517-A Process for producing 2,6-dideoxy-2-fluoro-L-talopyranose ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1991-07-23 US disclosed
US-4948880-A ANTITUMOR AGENTS, REDUCED SIDE EFFECTS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
EP-0270992-A2 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE Aktiengesellschaft (DE) 1988-06-15 EP disclosed
EP-0230322-A2 2,6-Dideoxy-2-fluoro-L-talopyranose and derivates thereof and the production of these compounds ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-07-29 EP disclosed