SCHEMBL14046895

SCHEMBL14046895

CCN(CC)c1cc2[nH]c(-c3ccccc3C)nc2cc1NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ MMP8 P22894 2/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ NPBWR1 P48145 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL14046898 0.91 DGAT1 (0.47) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL14046889 0.89 THRB (0.50) NPBWR1MAPTHPGDALDH1A1HTT
SCHEMBL3098570 0.87 MMP2 (0.57) MMP2MMP9MMP8MMP13MAPT
SCHEMBL11948998 0.87 HDAC6 (0.48) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14046893 0.86 HPGD (0.46) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL14046894 0.86 MAPT (0.45) NPBWR1MAPTMAPK1HPGDALDH1A1
SCHEMBL11949012 0.86 MMP2 (0.64) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14046899 0.84 KMT2A (0.51) NPBWR1MAPTHPGDALDH1A1HTT
SCHEMBL3104076 0.84 MMP2 (0.59) MMP2MMP9MMP8MMP13MAPT
SCHEMBL11956752 0.84 MMP2 (0.56) MMP2MMP9MMP8MMP13HDAC3

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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