SCHEMBL12133574

SCHEMBL12133574

CCCCOc1ccc2c(c1)c1cc(OCCCC)ccc1n2-c1nc(-c2ccc(C(C)(CC)CC)cc2)nc(-c2ccc(C(C)(CC)CC)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.41
▸ FGFR1 P11362 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ TP53 P04637 5/20 0.35
▸ POLB P06746 4/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PIN1 Q13526 1/20 0.35

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
SCHEMBL12133614 0.94 CASR (0.37) CASRFGFR1NPC1RAB9AKDM4E
SCHEMBL12132274 0.85 CASR (0.45) CASRFGFR1NPC1RAB9AKDM4E
SCHEMBL12132286 0.79 CASR (0.40) CASRFGFR1NPC1RAB9AKDM4E
SCHEMBL16152345 0.74 PGR (0.40) CASRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11984186 0.73 CNR2 (0.47) SMN1; SMN2TP53
SCHEMBL12132275 0.73 CNR2 (0.41) —
SCHEMBL26280691 0.73 CNR2 (0.39) SMN1; SMN2HPGDTP53POLB
SCHEMBL12132336 0.72 CNR2 (0.37) SMN1; SMN2TP53
SCHEMBL13930950 0.71 LTA4H (0.50) ALDH1A1CYP2C19CYP1A2TSHRCYP19A1
SCHEMBL11976578 0.70 RAB9A (0.41) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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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