SCHEMBL9425567

SCHEMBL9425567

CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1cnccn1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL8178669 0.90 POLB (0.63) POLBCYP3A4CYP2C9
SCHEMBL8173237 0.85 POLB (0.68) POLBCYP3A4CYP2C9
SCHEMBL8174691 0.83 POLB (0.73) POLBCYP3A4CYP2C9
SCHEMBL9426133 0.81 POLB (0.75) POLBCYP3A4CYP2C9
SCHEMBL9426130 0.80 POLB (0.72) POLBCYP3A4CYP2C9
SCHEMBL8173821 0.80 POLB (0.82) POLBCYP3A4CYP2C9
SCHEMBL8180092 0.80 POLB (0.82) POLBCYP3A4CYP2C9
Rh-5849 SCHEMBL1538531 0.79 POLB (1.00) POLBCYP3A4CYP2C9
SCHEMBL9815862 0.78 POLB (0.65) POLBCYP3A4CYP2C9
SCHEMBL8166298 0.77 POLB (0.68) POLBCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354762-A Insecticides ROHM AND HAAS COMPANY (US) 1994-10-11 US disclosed
EP-0361645-B1 ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE ROHM AND HAAS COMPANY (US) 1993-09-29 EP disclosed
EP-0253468-B1 SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-11-06 EP disclosed
EP-0361645-A2 Organic hydrazine derivatives for pharmaceutical use ROHM AND HAAS COMPANY (US) 1990-04-04 EP disclosed
EP-0253468-A2 Six-membered heterocyclic derivatives of N'substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1988-01-20 EP disclosed