SCHEMBL6532484

SCHEMBL6532484

c1ccc(Nc2cc(-c3nc4ccccc4[nH]3)ccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 10/20 0.54
ALDH1A1 P00352 8/20 0.54
PKN1 Q16512 1/20 0.54
PKN2 Q16513 1/20 0.54
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
MMP13 P45452 2/20 0.51
COMT P21964 1/20 0.51
SMN1; SMN2 Q16637 8/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SYK P43405 1/20 0.50
KDR P35968 1/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 4/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL6532479 0.80 NPC1 (0.61) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL1767523 0.79 MMP2 (0.67) NPC1RAB9AKDM4EALDH1A1MMP2
SCHEMBL30726447 0.77 MMP2 (0.62) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL31592975 0.76 MMP2 (0.64) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL11460149 0.76 NPC1 (0.61) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL31592970 0.75 KDM4E (0.61) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL31592944 0.74 KDM4E (0.57) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL13151491 0.74 MAPK10 (0.62) NPC1RAB9AMAPTATMEGFR
SCHEMBL31592951 0.74 MMP2 (0.55) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL27040119 0.74 MMP2 (0.55) NPC1RAB9AGAAKDM4EALDH1A1

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-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed