SCHEMBL4083648

SCHEMBL4083648

CC(C)CCNCc1cc(F)c(-c2cccc(-c3nnc[nH]3)c2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
CA2 P00918 1/20 0.32
AKT1 P31749 1/20 0.32
VSIR Q9H7M9 1/20 0.31

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
SCHEMBL13633146 0.89 SCN8A (0.35) HDAC1CA2AKT1VSIR
Hydrochloric Acid SCHEMBL4490670 0.88 SCN8A (0.35) HDAC1CA2AKT1VSIR
SCHEMBL4074510 0.81 AKT1 (0.36) HDAC1CA2AKT1VSIR
SCHEMBL4081718 0.80 AKT1 (0.35) HDAC1AKT1VSIR
SCHEMBL4071465 0.80 CSNK2A1 (0.40) HDAC1CA2AKT1VSIR
SCHEMBL4080115 0.76 AKT1 (0.35) HDAC1AKT1VSIR
SCHEMBL4082823 0.75 AKT1 (0.39) HDAC1AKT1VSIR
SCHEMBL4256175 0.72 AKT1 (0.38) HDAC1AKT1VSIR
SCHEMBL4345238 0.65 IDO1 (0.50)
SCHEMBL24609206 0.65 RXRA (0.41) CA2

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-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed