SCHEMBL3979899

SCHEMBL3979899

CC(I)(NC=O)c1ccc(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3634409 0.76 BDKRB1 (0.36)
SCHEMBL3229309 0.73
SCHEMBL2568687 0.72 GRM5 (0.33) ALDH1A1
SCHEMBL4729458 0.70 TRPV4 (0.37) ALDH1A1
SCHEMBL29649716 0.69 TRPV4 (0.40) ALDH1A1
SCHEMBL17586504 0.69 TRPV4 (0.40) ALDH1A1
SCHEMBL23262834 0.67 GRM5 (0.35) ALDH1A1
SCHEMBL16132531 0.67 HSD11B1 (0.37)
SCHEMBL18463843 0.67 TRPV4 (0.34) ALDH1A1
SCHEMBL22601464 0.67 TRPV4 (0.39) ALDH1A1

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-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed