SCHEMBL15026014

SCHEMBL15026014

Cc1ccc(-c2nnc(-c3ccc(C)nc3)n2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
HSD11B1 P28845 7/20 0.40
PDE10A Q9Y233 3/20 0.40
PTGS2 P35354 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL19612589 0.87 HPGDS (0.39) HPGDSHSD11B1PDE10APTGS2NPC1
SCHEMBL676678 0.78 HPGDS (0.56) HPGDSPDE10APTGS2NPC1RAB9A
SCHEMBL24484007 0.76 PCSK9 (0.44) HPGDSPDE10APTGS2NPC1RAB9A
SCHEMBL12488424 0.76 SMN1; SMN2 (0.49) HPGDSPDE10APTGS2NPC1RAB9A
SCHEMBL17051516 0.76 HPGDS (0.54) HPGDSPDE10APTGS2NPC1RAB9A
SCHEMBL17712975 0.75 NPC1 (0.56) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4878039 0.72 HSD17B10 (0.65) HPGDSPKMALDH1A1MEN1KMT2A
SCHEMBL15025716 0.72 HPGDS (0.50) HPGDSPDE10APTGS2NPC1RAB9A
SCHEMBL812519 0.72 NPC1 (0.60) HSD11B1NPC1RAB9AALDH1A1MEN1
SCHEMBL14804402 0.72 NPC1 (0.60) HSD11B1NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed