SCHEMBL20523552

SCHEMBL20523552

Nc1cnn(-c2cnn(C(F)(F)F)c2)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 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
SCHEMBL22468348 0.82 MAPT (0.35)
SCHEMBL12818406 0.71 NOTUM (0.44) EPHX2
SCHEMBL15779430 0.68 MAPT (0.50)
SCHEMBL3660202 0.68 MAPT (0.39)
SCHEMBL221485 0.67 GAA (0.59)
SCHEMBL17076791 0.67 GAA (0.31)
SCHEMBL9952472 0.66 MEN1 (0.42)
SCHEMBL29174653 0.64 GABRB3 (0.33) EPHX2
SCHEMBL17095020 0.64 MAP4K4 (0.50)
SCHEMBL15006906 0.64 MAPT (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600327-A1 HETEROCYCLIC COMPOUND Cardurion Pharmaceuticals, LLC (US) 2020-02-05 EP disclosed
WO-2018183112-A1 HETEROCYCLIC COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2018-10-04 WO disclosed