SCHEMBL14252829

SCHEMBL14252829

BC(=O)N1CCC(=C(C(=O)NN)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ TMPRSS2 O15393 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 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
SCHEMBL12751843 0.81 SETD7 (0.40) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751865 0.80 CYP2C9 (0.36) FNTAFNTBNPC1RAB9ACYP2C9
SCHEMBL12751869 0.80 CYP2C9 (0.36) FNTAFNTBHPGDCYP2C9GAA
SCHEMBL12751861 0.79 SMN1; SMN2 (0.41) FNTAFNTBHPGDNPC1RAB9A
SCHEMBL12751856 0.79 GAA (0.38) HPGDRAB9ASMN1; SMN2CYP2C9SETD7
SCHEMBL1472667 0.79 KDM4E (0.49) —
SCHEMBL12751846 0.77 PTPN1 (0.39) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751022 0.74 FNTA (0.40) FNTAFNTBHPGDSETD7GAA
SCHEMBL12751039 0.74 FNTA (0.40) FNTAFNTBHPGDSETD7GAA
SCHEMBL12751836 0.72 ALDH1A1 (0.39) FNTAFNTBHPGDSETD7GAA

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-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
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