SCHEMBL9302813

SCHEMBL9302813

CCCCCCCCCCNS(=O)(=O)c1ccc(CC2(C)Nc3ccccc3N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.47
EPHX2 P34913 1/20 0.46
HTT P42858 4/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 2/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9304262 0.77 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMAPK1MEN1
SCHEMBL9301975 0.76 CYP19A1 (0.54)
SCHEMBL578728 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL633906 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL578633 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL5020960 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL579136 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL578832 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL1279062 0.76 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2PKMKDM4E
SCHEMBL9302327 0.75 POLB (0.56) ALDH1A1LMNAHTTMAPK1MEN1

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