SCHEMBL12132279

SCHEMBL12132279

CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.42
▸ HSD11B1 P28845 2/20 0.40
▸ UCHL3 P15374 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ATM Q13315 2/20 0.37
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL12132288 0.90 UCHL3 (0.46) ADORA3HSD11B1UCHL3RORARORC
SCHEMBL12132283 0.88 ICMT (0.43) HSD11B1RORARORCRORBNPC1
SCHEMBL12132282 0.87 RAB9A (0.48) ADORA3ADORA1NPC1RAB9AATM
SCHEMBL23118981 0.83 PSMB5 (0.40) ADORA3HSD11B1UCHL3RORARORC
SCHEMBL12132298 0.83 NPC1 (0.46) RORARORCRORBPSMB5NPC1
SCHEMBL23118777 0.82 PSMB5 (0.40) ADORA3HSD11B1UCHL3RORARORC
SCHEMBL12132274 0.81 CASR (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL24549588 0.81 HSD11B1 (0.39) ADORA3HSD11B1UCHL3RORARORC
SCHEMBL12132277 0.81 CYP1A1 (0.40) ADORA3ADORA1NPC1RAB9AATM
SCHEMBL23118774 0.80 HSD11B1 (0.39) ADORA3HSD11B1UCHL3RORARORC

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
US-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
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