SCHEMBL14046893

SCHEMBL14046893

CCN(CC)c1cc2[nH]c(-c3ccccc3C)nc2cc1NC(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GALR3 O60755 1/20 0.45
▸ NPBWR1 P48145 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ PARP14 Q460N5 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL11949053 0.88 KMT2A (0.45) CDK2ALDH1A1KDRABL1
SCHEMBL14046889 0.87 THRB (0.50) HPGDRAB9AHTTSMN1; SMN2NPBWR1
SCHEMBL14046895 0.86 MMP2 (0.48) HPGDRAB9AHTTSMN1; SMN2NPBWR1
SCHEMBL14046894 0.84 MAPT (0.45) HPGDRAB9AHTTSMN1; SMN2NPBWR1
SCHEMBL14046899 0.82 KMT2A (0.51) HPGDRAB9AHTTSMN1; SMN2NPBWR1
SCHEMBL11949063 0.82 KDR (0.50) HPGDRAB9AHTTSMN1; SMN2PARP14
SCHEMBL14046892 0.80 TUBB4A (0.42) HPGDRAB9AHTTSMN1; SMN2NPBWR1
SCHEMBL14046891 0.80 RAB9A (0.48) HPGDRAB9AHTTSMN1; SMN2NPBWR1
SCHEMBL14046898 0.80 DGAT1 (0.47) HPGDSMN1; SMN2NPBWR1KITALDH1A1
SCHEMBL14046897 0.79 TUBB4A (0.45) HPGDRAB9AHTTSMN1; SMN2NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — WO disclosed
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