SCHEMBL19977029

SCHEMBL19977029

CC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
TRPV1 Q8NER1 17/20 0.54
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL19976940 0.88 TRPV1 (0.55) ALDH1A1MAPTTRPV1LMNAMEN1
SCHEMBL19977127 0.87 TRPV1 (0.54) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL19976895 0.84 MEN1 (0.63) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL16994005 0.83 TRPV1 (0.55) KDM4EALDH1A1MAPTTRPV1MEN1
SCHEMBL19976992 0.82 TRPV1 (0.48) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL19976908 0.80 ALDH1A1 (0.55) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL19977017 0.79 TRPV1 (0.52) TRPV1MEN1KMT2A
SCHEMBL19976962 0.79 TRPV1 (0.52) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL19977044 0.79 TRPV1 (0.53) ALDH1A1TRPV1LMNAMEN1HTT
SCHEMBL15452706 0.78 KDM4E (0.76) KDM4EALDH1A1MAPTTRPV1MEN1

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