SCHEMBL19976962

SCHEMBL19976962

CC(NC(=O)c1cccs1)C(=O)Nc1cccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL23593888 0.83 HSPA1A (0.60) TRPV1MEN1KMT2AMAPK1HTT
SCHEMBL16993905 0.83 HSPA1A (0.60) TRPV1MEN1KMT2AMAPK1HTT
SCHEMBL19976895 0.82 MEN1 (0.63) TRPV1LMNAMEN1KMT2AMAPK1
SCHEMBL16993951 0.81 HSPA1A (0.51) TRPV1
SCHEMBL23593889 0.81 HSPA1A (0.51) TRPV1
SCHEMBL19976946 0.80 ALDH1A1 (0.65) LMNAMEN1KMT2AHTT
SCHEMBL19976940 0.80 TRPV1 (0.55) TRPV1LMNAMEN1KMT2AMAPK1
SCHEMBL19976925 0.79 TRPV1 (0.53) TRPV1LMNAMEN1KMT2AHTT
SCHEMBL19977029 0.79 KDM4E (0.54) TRPV1LMNAMEN1KMT2AMAPK1
SCHEMBL19977127 0.79 TRPV1 (0.54) TRPV1LMNAMEN1KMT2AMAPK1

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