SCHEMBL9302586

SCHEMBL9302586

CC(Sc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PTAFR P25105 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TP53 P04637 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9302140 0.80 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL9302594 0.80 AR (0.55) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL9302884 0.76 PTAFR (0.59) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL9301659 0.76 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL14132272 0.72 HTR2A (0.72) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL9302215 0.71 PTAFR (0.44) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL9302162 0.70 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL4159760 0.69 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL9302074 0.69 PTAFR (0.46) ALDH1A1KMT2AMEN1KDM4EPTAFR
SCHEMBL13995393 0.68 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1KDM4EPTAFR

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