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SCHEMBL9815801

SCHEMBL9815801

CCc1ccc(C(=O)N(NC(=O)c2ncccn2)C(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.73
▸ HPGD P15428 1/20 0.73
▸ ABCB1 P08183 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ POLB P06746 1/20 0.52
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL9426098 0.90 HPGD (0.73) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9815842 0.86 HPGD (0.68) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9815875 0.85 POLB (0.72) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL8423072 0.85 HPGD (1.00) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9425422 0.84 POLB (0.55) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9714554 0.83 HPGD (0.89) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL8773650 0.83 HPGD (0.89) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9425189 0.81 HPGD (0.68) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL10719977 0.80 HPGD (0.89) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9714506 0.80 HPGD (0.78) SMN1; SMN2HPGDABCB1CYP3A4POLB

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-0253468-B1 SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-11-06 — — EP disclosed