SCHEMBL31194302

SCHEMBL31194302

CCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ DGAT1 O75907 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL25887368 0.93 POLB (0.42) POLBDGAT1GRIN1GRIN2B
SCHEMBL30989696 0.93 POLB (0.42) POLBDGAT1GRIN1GRIN2B
SCHEMBL21586180 0.90 POLB (0.39) POLB
SCHEMBL25887465 0.86 NTRK1 (0.31) POLBGRIN1GRIN2B
SCHEMBL30989675 0.86 NTRK1 (0.31) POLBGRIN1GRIN2B
SCHEMBL31194290 0.85 POLB (0.35) POLB
SCHEMBL29431612 0.85 POLB (0.43) POLB
SCHEMBL14684616 0.85 POLB (0.43) POLB
SCHEMBL25314531 0.85 AKT1 (0.33) MAP4K1GRIN1GRIN2B
SCHEMBL25885639 0.85 POLB (0.33) POLBGRIN1GRIN2B

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
WO-2024175557-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYL-SULFOXIME-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-29 — — WO disclosed
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