SCHEMBL12132282

SCHEMBL12132282

CCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(CCCC)cn4)ccc2n3-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.48
▸ NPC1 O15118 9/20 0.48
▸ NFKB1 P19838 4/20 0.48
▸ NFKB2 Q00653 4/20 0.48
▸ RELA Q04206 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 3/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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 0.87 ADORA3 (0.42) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12132298 0.83 NPC1 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12132283 0.83 ICMT (0.43) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL12132288 0.78 UCHL3 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12132274 0.77 CASR (0.45) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL27432954 0.76 RAB9A (0.74) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11976542 0.76 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12132286 0.75 CASR (0.40) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL12132281 0.75 PIK3CA (0.40) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL12132293 0.75 CCR1 (0.39) TP53PKM

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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