SCHEMBL9002076

SCHEMBL9002076

O=S(=O)(NCCSc1cccc2nccn12)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TBXA2R P21731 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9001975 0.90 KMT2A (0.47) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL9002239 0.89 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL9002007 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL9002286 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PKML3MBTL1
SCHEMBL9002174 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1KDM4E
Hydrochloric Acid SCHEMBL9002295 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1PKML3MBTL1
Hydrochloric Acid SCHEMBL9179842 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL9002062 0.83 PPARG (0.37) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL9002172 0.81 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL9002027 0.80 CNR2 (0.36) ALDH1A1KMT2AMAPTMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed