SCHEMBL29840887

SCHEMBL29840887

O=C(Nc1cccc(OC(F)(F)F)c1F)C1CC2CC2N1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 19/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KLKB1 P03952 1/20 0.41

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
SCHEMBL19234185 1.00 CFD (0.45) CFDCYP2C9KLKB1
SCHEMBL19234672 1.00 CFD (0.45) CFDCYP2C9KLKB1
SCHEMBL18554429 0.81 EPHX2 (0.43) CFDCYP2C9
SCHEMBL18554430 0.81 EPHX2 (0.43) CFDCYP2C9
Hydrochloric Acid SCHEMBL20378176 0.80 EPHX2 (0.43) CFDCYP2C9
Hydrochloric Acid SCHEMBL20378179 0.80 EPHX2 (0.43) CFDCYP2C9
SCHEMBL25249527 0.80 KLKB1 (0.42) CFDKLKB1
SCHEMBL25549352 0.80 KLKB1 (0.42) CFDKLKB1
SCHEMBL30254296 0.80 KLKB1 (0.42) CFDKLKB1
SCHEMBL18591255 0.80 CFD (0.47) CFDCYP2C9

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-4053117-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-09-07 — — EP claimed
Send feedback