SCHEMBL12132298

SCHEMBL12132298

CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1nc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NFKB1 P19838 4/20 0.46
▸ NFKB2 Q00653 4/20 0.46
▸ RELA Q04206 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RORA P35398 3/20 0.38
▸ RORC P51449 3/20 0.38
▸ RORB Q92753 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ PGR P06401 2/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL12132279 0.83 ADORA3 (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12132282 0.83 RAB9A (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12132293 0.78 CCR1 (0.39) TP53CCR1CCR5CCR8HDAC6
SCHEMBL11976546 0.76 RAB9A (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12132295 0.76 CCR1 (0.44) L3MBTL1CCR1CCR5CCR8HDAC6
SCHEMBL12132288 0.74 UCHL3 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL26730681 0.73 RORA (0.43) RORARORCRORBPGRPSMB5
SCHEMBL23118981 0.73 PSMB5 (0.40) RORARORCRORBPGRPSMB5
SCHEMBL12132283 0.73 ICMT (0.43) NPC1RAB9ASMN1; SMN2RORARORC
SCHEMBL23118777 0.72 PSMB5 (0.40) RORARORCRORBPGRPSMB5

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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