SCHEMBL14463577

SCHEMBL14463577

CCC(C)(CC)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3nsnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ DGAT1 O75907 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ NR1H4 Q96RI1 3/20 0.32
▸ HTR1D P28221 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL18040333 0.88 KIF11 (0.45) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13553389 0.88 KIF11 (0.37) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14508116 0.84 MAPT (0.31) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14435170 0.82 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25475487 0.81 KIF11 (0.39) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27697517 0.79 KIF11 (0.38) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13892802 0.74 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL27697520 0.74 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL14049040 0.73 CNR2 (0.32) —
SCHEMBL14515083 0.73 NPC1 (0.38) KIF11NPC1RAB9ASMN1; SMN2LMNA

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
WO-2007074325-A1 ORGANIC ELECTROLUMINESCENT DEVICE CDT OXFORD LIMITED (GB) 2007-07-05 — — WO disclosed
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