SCHEMBL9756054

SCHEMBL9756054

Cc1cccc(C(=O)N(NC(=O)C2CC=CCC2)C(C)(C)C)c1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB1 P08183 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9756056 0.82 ABCB1 (0.41) RAB9ATDP1ABCB1
SCHEMBL9246607 0.80 ABCB1 (0.54) TDP1HTTMEN1ALDH1A1MAPT
SCHEMBL10718620 0.75 ABCB1 (0.59) ABCB1
SCHEMBL9756093 0.74 ABCB1 (0.48) HTTESR2ABCB1CYP3A4CYP2C9
SCHEMBL9756312 0.72 ABCB1 (0.46) HTTESR2ABCB1CYP3A4CYP2C9
SCHEMBL9756157 0.71 ABCB1 (0.45) HTTESR2ABCB1CYP3A4CYP2C9
SCHEMBL10748923 0.71 POLB (0.67) CYP3A4CYP2C9
SCHEMBL10719341 0.70 ABCB1 (0.56) ABCB1
SCHEMBL10719133 0.69 ABCB1 (0.70) ABCB1
SCHEMBL9756108 0.69 ABCB1 (0.41) HTTESR2ABCB1CYP3A4CYP2C9

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
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed