SCHEMBL14040329

SCHEMBL14040329

Bc1ccc(-c2cnc(-c3ccccc3)nc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.75
RAB9A P51151 5/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
NFKB1 P19838 2/20 0.75
NFKB2 Q00653 2/20 0.75
RELA Q04206 2/20 0.75
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGDS O60760 12/20 0.46
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL6682733 0.89 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6679319 0.89 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13527439 0.89 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL903606 0.89 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2117282 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21202923 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL15783718 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23018918 0.80 L3MBTL1 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20068646 0.80 RAB9A (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14543888 0.79 NPC1 (0.75) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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
EP-1699898-B1 POLYMERIC, PHOSPHORESCENT, ORGANICALLY SEMI-CONDUCTIVE EMITTER MATERIALS BASED ON PERARYLATED BORANES, METHOD FOR THEIR PRODUCTION AND USE THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2008-10-29 EP disclosed