SCHEMBL9302316

SCHEMBL9302316

Cc1cc2nc(Cc3ccc(C(=O)N(C)C4CCCCC4)cc3)[nH]c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.51
POLB P06746 1/20 0.48
F10 P00742 1/20 0.47
ITK Q08881 1/20 0.46
HSD11B1 P28845 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.43
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD11B2 P80365 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL9302033 0.86 HPGD (0.60) PTAFRPOLBITKHSD17B10HPGD
SCHEMBL8324787 0.83 PTAFR (0.49) PTAFRPOLBITKHSD11B1HSD17B10
SCHEMBL3456944 0.79 POLB (0.57) PTAFRPOLBITKNPSR1CNR2
SCHEMBL9303440 0.78 HPGD (0.51) PTAFRPOLBITKHSD11B1HSD17B10
SCHEMBL3456816 0.75 POLB (0.60) PTAFRPOLBITKHPGDCNR2
SCHEMBL9303110 0.75 PTAFR (0.52) PTAFRPOLBITKHSD11B1CYP1A2
SCHEMBL2404067 0.75 MEN1 (0.48) F10NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL9301769 0.74 HPGD (0.46) PTAFRPOLBF10ITKALOX12
SCHEMBL9302186 0.74 HPGD (0.46) PTAFRPOLBITKCYP1A2CYP2D6
SCHEMBL9303272 0.74 HPGD (0.58) POLBHSD11B1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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