SCHEMBL9496366

SCHEMBL9496366

COc1ccc(C(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ABCB1 P08183 2/20 0.56
POLB P06746 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10722009 0.88 ABCB1 (0.70) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL9714257 0.88 CYP3A4 (0.60) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL9714318 0.87 POLB (0.56) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL9714656 0.87 HTT (0.67) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL9241810 0.86 POLB (0.71) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL9714239 0.86 ABCB1 (0.56) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL5064138 0.84 ABCB1 (0.57) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL9824817 0.82 ABCB1 (0.58) HTTABCB1POLBCYP3A4CYP2C9
SCHEMBL10719638 0.82 TRPV1 (0.53) ABCB1POLBCYP3A4CYP2C9HPGD
SCHEMBL9714138 0.82 POLB (0.78) HTTABCB1POLBCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5237099-A Insecticidal substituted and unsubstituted benzoic acid 1-alkyl, 2-alkyl and 2-cycloalkylhydrazides AMERICAN CYANAMID COMPANY (US) 1993-08-17 US disclosed
US-4814349-A Insecticidal substituted and unsubstituted benzoic acid 1-alkyl, 2 alkyl and 2-cycloalkylhydrazides AMERICAN CYANAMID COMPANY (US) 1989-03-21 US disclosed