SCHEMBL19976940

SCHEMBL19976940

Cc1ccccc1C(=O)NC(C)C(=O)Nc1cccc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL19977127 0.88 TRPV1 (0.54) TRPV1KMT2ALMNAMEN1MAPK1
SCHEMBL19977029 0.88 KDM4E (0.54) TRPV1KMT2AALDH1A1MAPTLMNA
SCHEMBL30987374 0.86 ALDH1A1 (0.64) TRPV1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19976895 0.85 MEN1 (0.63) TRPV1KMT2ALMNAMEN1MAPK1
SCHEMBL16994042 0.84 TRPV1 (0.53) TRPV1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19976992 0.83 TRPV1 (0.48) TRPV1KMT2ALMNAMEN1MAPK1
SCHEMBL19976962 0.80 TRPV1 (0.52) TRPV1KMT2ALMNAMEN1MAPK1
SCHEMBL19976994 0.80 PGR (0.57) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL25080876 0.79 TRPV1 (0.52) TRPV1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19976939 0.79 ALDH1A1 (0.56) KMT2AALDH1A1MAPTSMN1; SMN2LMNA

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