SCHEMBL9815850

SCHEMBL9815850

Cc1cccc(C(=O)N(NC(=O)c2cccnc2Cl)C(C)(C)C)c1C

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.50

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
SCHEMBL9425780 0.95 ABCB1 (0.50) ABCB1
SCHEMBL10718620 0.85 ABCB1 (0.59) ABCB1
SCHEMBL5058394 0.82 ABCB1 (0.64) ABCB1
SCHEMBL9426253 0.82 POLB (0.62) ABCB1
SCHEMBL9425222 0.82 ABCB1 (0.60) ABCB1
SCHEMBL9815814 0.82 ABCB1 (0.65) ABCB1
SCHEMBL10719133 0.81 ABCB1 (0.70) ABCB1
SCHEMBL9815751 0.81 ABCB1 (0.45) ABCB1
SCHEMBL9815831 0.80 ABCB1 (0.49) ABCB1
SCHEMBL9815874 0.80 POLB (0.62)

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