SCHEMBL9714106

SCHEMBL9714106

CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.76
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ HPGD P15428 1/20 0.57
▸ SMN1; SMN2 Q16637 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
SCHEMBL9714102 1.00 POLB (0.76) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9714620 0.94 POLB (0.65) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
Rh-5849 SCHEMBL1538531 0.87 POLB (1.00) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9714256 0.87 POLB (0.68) POLBCYP3A4CYP2C9
SCHEMBL9714261 0.87 CYP3A4 (0.75) POLBCYP3A4CYP2C9
SCHEMBL10719534 0.86 ABCB1 (0.67) POLBCYP3A4CYP2C9
SCHEMBL8167374 0.84 POLB (0.88) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL10718325 0.84 ABCB1 (0.57) —
SCHEMBL9877264 0.83 POLB (0.85) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL8773665 0.83 POLB (0.85) POLBCYP3A4CYP2C9HPGDSMN1; SMN2

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 4 patents. 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
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 — — EP disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 — — US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 — — EP disclosed
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