SCHEMBL6124301

SCHEMBL6124301

Cc1ccc2[nH]c(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
MMP2 P08253 3/20 0.65
MMP9 P14780 3/20 0.65
MMP8 P22894 3/20 0.65
MMP13 P45452 3/20 0.65
HPSE Q9Y251 1/20 0.63
ALOX5 P09917 1/20 0.62
EPHX2 P34913 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
NPBWR1 P48145 2/20 0.60
GFER P55789 2/20 0.60
TP53 P04637 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
ACHE P22303 2/20 0.58
MEN1 O00255 4/20 0.57

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
SCHEMBL13599850 0.93 NPC1 (0.81) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL14494924 0.93 NPC1 (0.60) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL13183701 0.91 NPC1 (0.78) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL7574964 0.91 NPC1 (0.58) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL12172367 0.89 NPC1 (0.72) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL20677813 0.86 NPC1 (0.75) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL24347821 0.85 NPC1 (0.53) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL6322764 0.85 ALDH1A1 (0.76) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL22244598 0.85 NPC1 (0.53) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL3337292 0.85 GUSB (0.57) NPC1RAB9AMMP2MMP9MMP8

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-9509008-B2 Dibenzylated polybenzimidazole based polymer and method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-29 US disclosed
US-20150311555-A1 DIBENZYLATED POLYBENZIMIDAZOLE BASED POLYMER AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-29 US disclosed
US-20120115050-A1 METHOD FOR IN-SITU PREPARATION OF POLYBENZIMIDAZOLE-BASED ELECTROLYTE MEMBRANE AND POLYBENZIMIDAZOLE-BASED ELECTROLYTE MEMBRANE PREPARED THEREBY KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2012-05-10 US disclosed