SCHEMBL9302515

SCHEMBL9302515

CC1(Cc2ccc(S(=O)(=O)N(C3CCCCC3)C3CCCCC3)cc2)Nc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
PTAFR P25105 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
NAMPT P43490 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL9302837 0.89 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EPTAFR
SCHEMBL9303752 0.78 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL9303481 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EPTAFR
SCHEMBL9301340 0.77 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EPTAFR
SCHEMBL9302513 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EPTAFR
SCHEMBL9302028 0.76 CA12 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL9302831 0.76 LMNA (0.52) MEN1KMT2AKDM4EPTAFRLMNA
SCHEMBL9303191 0.75 CNR2 (0.43) ALDH1A1MEN1KMT2ALMNACNR1
SCHEMBL9302099 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EPTAFR
SCHEMBL9302642 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EPOLB

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
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed