SCHEMBL7868204

SCHEMBL7868204

CCc1ccc(NC(=O)C=C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ GAA P10253 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ SRC P12931 1/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ FGFR4 P22455 1/20 0.49

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
SCHEMBL7865824 0.80 KMT2A (0.65) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL1132464 0.80 THRA (0.67) RAB9ANPC1SRCKMT2AHDAC3
SCHEMBL3713301 0.79 NPC1 (0.70) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL20284039 0.79 NPC1 (0.70) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL155297 0.79 RAB9A (0.64) RAB9ASMN1; SMN2NPC1HTTTSHR
SCHEMBL4135335 0.78 NPC1 (1.00) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL11759969 0.78 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL5645657 0.78 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL17675351 0.78 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL2998577 0.78 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1GAAHTT

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-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
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