SCHEMBL9714620

SCHEMBL9714620

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

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.65
▸ HPGD P15428 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ ABCB1 P08183 2/20 0.51

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
SCHEMBL9714106 0.94 POLB (0.76) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9714102 0.94 POLB (0.76) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10722349 0.87 CYP3A4 (0.53) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10719534 0.86 ABCB1 (0.67) POLBCYP3A4CYP2C9ABCB1
Hydrochloric Acid SCHEMBL8173175 0.86 CYP3A4 (0.52) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10718325 0.83 ABCB1 (0.57) ABCB1
SCHEMBL9714261 0.81 CYP3A4 (0.75) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714256 0.81 POLB (0.68) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714422 0.81 POLB (0.73) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9877205 0.81 POLB (0.73) 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 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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