SCHEMBL9246607

SCHEMBL9246607

Cc1cccc(C(=O)N(NC(=O)C2CC=CCC2)C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.54
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9755976 0.87 ABCB1 (0.66) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9755937 0.85 ABCB1 (0.60) ABCB1CYP3A4CYP2C9POLBALDH1A1
SCHEMBL9756247 0.85 ABCB1 (0.60) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756191 0.84 ABCB1 (0.58) ABCB1CYP3A4CYP2C9POLBALDH1A1
SCHEMBL9755881 0.84 ABCB1 (0.58) ABCB1CYP3A4CYP2C9POLBALDH1A1
SCHEMBL9755908 0.84 ABCB1 (0.58) ABCB1CYP3A4CYP2C9POLBALDH1A1
SCHEMBL10591395 0.82 ABCB1 (0.57) ABCB1CYP3A4CYP2C9POLB
SCHEMBL10593057 0.80 ABCB1 (0.57) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756054 0.80 RAB9A (0.42) ABCB1CYP3A4CYP2C9TDP1HTT
SCHEMBL8174009 0.78 ABCB1 (0.55) ABCB1CYP3A4CYP2C9POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347216-A2 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acylhydrazines and N'-substituted -N-acyl-N'-alkylcarbonyl hydrazines ROHM AND HAAS COMPANY (US) 1989-12-20 EP claimed
US-5424333-A Anthelmintic N'-substituted-N,N'-disubstitutedhydrazines ROHM AND HAAS COMPANY (US) 1995-06-13 US disclosed
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed