SCHEMBL9714435

SCHEMBL9714435

CCCc1ccc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.72
HPGD P15428 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
CYP3A4 P08684 1/20 0.57

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
SCHEMBL9714441 1.00 ABCB1 (0.72) ABCB1HPGDSMN1; SMN2POLBKDM4E
SCHEMBL10721968 0.93 HPGD (0.66) ABCB1HPGDSMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL8180457 0.91 HPGD (0.64) ABCB1HPGDSMN1; SMN2POLBKDM4E
SCHEMBL10720191 0.90 HPGD (0.63) ABCB1HPGDSMN1; SMN2POLBCYP3A4
SCHEMBL9714459 0.90 HPGD (0.86) ABCB1HPGDSMN1; SMN2POLBCYP3A4
SCHEMBL9714453 0.90 HPGD (0.86) ABCB1HPGDSMN1; SMN2POLBCYP3A4
Hydrochloric Acid SCHEMBL8174716 0.88 HPGD (0.84) ABCB1HPGDSMN1; SMN2POLBCYP3A4
SCHEMBL10722196 0.88 POLB (0.74) ABCB1HPGDSMN1; SMN2POLBCYP3A4
SCHEMBL10718691 0.88 POLB (0.74) ABCB1HPGDSMN1; SMN2POLBCYP3A4
SCHEMBL9714227 0.88 POLB (0.71) HPGDSMN1; SMN2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed