SCHEMBL9302629

SCHEMBL9302629

S=CCCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CHRM1 P11229 1/20 0.59
DDAH1 O94760 1/20 0.56
PDE10A Q9Y233 2/20 0.54
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.52
BCHE P06276 1/20 0.51

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
SCHEMBL230157 0.83 POLB (0.84) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL833457 0.83 POLB (0.66) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL8322003 0.83 POLB (0.66) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL28799253 0.82 DDAH1 (0.59) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7854448 0.80 POLB (0.92) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7006523 0.80 POLB (1.00) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL9113349 0.79 POLB (0.60) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7854826 0.78 POLB (0.96) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7856315 0.78 POLB (0.96) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7856311 0.78 POLB (0.96) POLBNPC1RAB9ACHRM1DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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