SCHEMBL9756424

SCHEMBL9756424

Cc1cccc(C(=O)N(NC(=O)Cc2ccccc2)C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.60
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8173059 0.88 POLB (0.65) CYP3A4CYP2C9SMN1; SMN2POLBLMNA
SCHEMBL9755986 0.88 ABCB1 (0.57) ABCB1CYP3A4CYP2C9SMN1; SMN2POLB
SCHEMBL9756120 0.86 CYP3A4 (0.56) CYP3A4CYP2C9SMN1; SMN2POLB
SCHEMBL9755920 0.86 NPC1 (0.55) ABCB1CYP3A4CYP2C9SMN1; SMN2POLB
SCHEMBL9756228 0.85 ABCB1 (0.54) ABCB1CYP3A4CYP2C9SMN1; SMN2POLB
SCHEMBL9756402 0.84 ABCB1 (0.69) ABCB1CYP3A4CYP2C9POLBTDP1
SCHEMBL9507281 0.83 CYP3A4 (0.83) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756305 0.82 ABCB1 (0.62) ABCB1CYP3A4CYP2C9POLBTDP1
SCHEMBL9756019 0.81 ABCB1 (0.64) ABCB1CYP3A4CYP2C9SMN1; SMN2POLB
SCHEMBL8173908 0.81 ABCB1 (0.64) ABCB1CYP3A4CYP2C9SMN1; SMN2POLB

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
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