SCHEMBL7042272

SCHEMBL7042272

CNNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
PTGS2 P35354 3/20 0.62
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOB P27338 2/20 0.55
MAOA P21397 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL11791404 0.89 ALDH1A1 (0.61) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL3912992 0.86 POLB (0.62) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL14266881 0.82 GFER (0.58) ALDH1A1TDP1KDM4EGAALMNA
SCHEMBL79445 0.82 HDAC2 (0.64) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL31456325 0.81 POLB (0.67) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL19663861 0.80 ALDH1A1 (0.78) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL16380418 0.80 PTGS2 (0.64) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL28680084 0.79 ALDH1A1 (0.55) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL24386087 0.79 MAPT (0.47) POLBPTGS2ALDH1A1TDP1KDM4E
SCHEMBL11536811 0.78 HDAC1 (0.51) POLBPTGS2ALDH1A1TDP1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982292-B1 Process for the preparation of monoacylhydrazines using carboxylic acids DOW AGROSCIENCES LLC (US) 2003-03-26 EP disclosed
US-6096890-A Process for substituted hydrazides using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-08-01 US disclosed
EP-0982292-A2 Process for the preparation of monoacylhydrazines using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-03-01 EP disclosed
US-5767314-A Selective acylation of monoalkylhydrazines ROHM AND HAAS COMPANY (US) 1998-06-16 US disclosed
US-5675037-A REACTING UNSUBSTITUTED OR MONOALKYL-HYDRAZINES WITH TRICHLOROMETHYL ARYL KETONES ROHM AND HAAS COMPANY (US) 1997-10-07 US disclosed
EP-0492839-B1 Selective acylation of hydrazines ROHM & HAAS (US) 1995-04-12 EP disclosed
EP-0492839-A1 Selective acylation of hydrazines ROHM AND HAAS COMPANY (US) 1992-07-01 EP disclosed
US-4309422-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-01-05 US disclosed
US-4198513-A ANTI-GOUT AND ANTI-HYPERURICEMIC AGENTS MERCK & CO., INC. (US) 1980-04-15 US disclosed
US-4156085-A ANTIGOUT, XANTHINE OXIDASE INHIBITORS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4111944-A SUBSTITUTED 1,2,4-TRIAZOLES MERCK & CO., INC. (US) 1978-09-05 US disclosed
US-4102889-A ANTIGOUT AND ANTIHYPERURICEMIC AGENTS MERCK & CO., INC. (US) 1978-07-25 US disclosed
US-4011218-A ANTI-GOUT, ANTI-HYPERURICEMIC MERCK & CO., INC. (US) 1977-03-08 US disclosed
US-3963731-A TREATMENT OF GOUT AND HYPERURICEMIA MERCK & CO., INC. (US) 1976-06-15 US disclosed
US-3947577-A 1,2,4-TRIAZOLES MERCK & CO., INC. (US) 1976-03-30 US disclosed