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SCHEMBL9825973

SCHEMBL9825973

COC(=O)c1ccc(C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.80
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ HTT P42858 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
SCHEMBL9825975 1.00 POLB (0.80) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
Water SCHEMBL8178585 0.97 POLB (0.76) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
Rh-5849 SCHEMBL1538531 0.89 POLB (1.00) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL9714140 0.87 POLB (0.78) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL9714138 0.87 POLB (0.78) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL8167374 0.87 POLB (0.88) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL8174973 0.85 ABCB1 (0.70) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL9511018 0.85 ABCB1 (0.74) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL9714077 0.85 POLB (0.85) POLBCYP3A4CYP2C9SMN1; SMN2HPGD
SCHEMBL9877264 0.85 POLB (0.85) POLBCYP3A4CYP2C9SMN1; SMN2HPGD

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-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 — — EP disclosed