SCHEMBL9755986

SCHEMBL9755986

Cc1cccc(C(=O)N(NC(=O)CCc2ccccc2)C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9755920 0.93 NPC1 (0.55) ABCB1CYP3A4CYP2C9RAB9ANPC1
SCHEMBL9756228 0.92 ABCB1 (0.54) ABCB1CYP3A4CYP2C9RAB9ANPC1
SCHEMBL9755903 0.89 POLB (0.61) CYP3A4CYP2C9SMN1; SMN2POLBMEN1
SCHEMBL9756424 0.88 ABCB1 (0.60) ABCB1CYP3A4CYP2C9SMN1; SMN2POLB
SCHEMBL9755855 0.87 CYP3A4 (0.54) CYP3A4CYP2C9RAB9ASMN1; SMN2POLB
SCHEMBL9756305 0.85 ABCB1 (0.62) ABCB1CYP3A4CYP2C9POLBTDP1
SCHEMBL9756224 0.83 ABCB1 (0.60) ABCB1CYP3A4CYP2C9TDP1
SCHEMBL9756451 0.82 ABCB1 (0.51) ABCB1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL9756402 0.82 ABCB1 (0.69) ABCB1CYP3A4CYP2C9POLBTDP1
SCHEMBL9756064 0.82 ABCB1 (0.58) ABCB1CYP3A4CYP2C9TDP1

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