SCHEMBL9877205

SCHEMBL9877205

CC(C)(C)c1ccc(C(=O)NN(C(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
HPGD P15428 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 1/20 0.62
ABCB1 P08183 3/20 0.56
HDAC1 Q13547 1/20 0.55

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
SCHEMBL9877264 0.94 POLB (0.85) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10721036 0.92 POLB (0.63) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8180262 0.91 POLB (0.61) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10718679 0.88 ABCB1 (0.74) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10721860 0.87 CYP3A4 (0.59) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9714422 0.86 POLB (0.73) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10722293 0.85 CYP3A4 (0.58) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9714384 0.85 POLB (0.71) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9714227 0.85 POLB (0.71) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10719402 0.84 ABCB1 (0.74) POLBHPGDSMN1; SMN2CYP3A4CYP2C9

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
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US disclosed