SCHEMBL9755920

SCHEMBL9755920

Cc1cccc(C(=O)N(NC(=O)CCCc2ccccc2)C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ABCB1 P08183 2/20 0.55
POLB P06746 2/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LPAR1 Q92633 1/20 0.45

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
SCHEMBL9756228 0.97 ABCB1 (0.54) NPC1RAB9AABCB1POLBCYP3A4
SCHEMBL9755986 0.93 ABCB1 (0.57) NPC1RAB9AABCB1POLBCYP3A4
SCHEMBL9756166 0.89 SMN1; SMN2 (0.59) NPC1RAB9APOLBCYP3A4CYP2C9
SCHEMBL9755992 0.88 CYP3A4 (0.52) NPC1RAB9APOLBCYP3A4CYP2C9
SCHEMBL9756451 0.87 ABCB1 (0.51) ABCB1CYP3A4CYP2C9
SCHEMBL9756424 0.86 ABCB1 (0.60) ABCB1POLBCYP3A4CYP2C9TDP1
SCHEMBL9756224 0.86 ABCB1 (0.60) ABCB1CYP3A4CYP2C9TDP1
SCHEMBL9756018 0.86 SMN1; SMN2 (0.57) POLBCYP3A4CYP2C9SMN1; SMN2
SCHEMBL9756064 0.85 ABCB1 (0.58) ABCB1CYP3A4CYP2C9TDP1
SCHEMBL9756264 0.84 CYP3A4 (0.51) POLBCYP3A4CYP2C9SMN1; SMN2LPAR1

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-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed