SCHEMBL19977017

SCHEMBL19977017

CC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2c1cnn2C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL19976966 0.88 TRPV1 (0.46) TRPV1KMT2A
SCHEMBL19976999 0.84 TRPV1 (0.51) TRPV1
SCHEMBL16999593 0.84 CTSL (0.49) TRPV1
SCHEMBL18261129 0.84 CTSL (0.49) TRPV1
SCHEMBL19977044 0.79 TRPV1 (0.53) TRPV1MEN1KMT2A
SCHEMBL19977029 0.79 KDM4E (0.54) TRPV1MEN1KMT2A
SCHEMBL19976967 0.78 RAB9A (0.43) MEN1KMT2A
SCHEMBL19976908 0.77 ALDH1A1 (0.55) MEN1KMT2A
SCHEMBL19976906 0.77 PGR (0.52) MEN1KMT2A
SCHEMBL19977090 0.76 DHPS (0.46) TRPV1MEN1KMT2A

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
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed