SCHEMBL19976931

SCHEMBL19976931

COc1ccccc1NC(=O)C(C)NC(=O)c1cccs1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.72
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ATM Q13315 1/20 0.52
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
ELANE P08246 1/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
KLK7 P49862 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
SCHEMBL19976952 0.90 APLNR (0.57) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL19977059 0.88 KMT2A (0.58) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL19977006 0.87 APLNR (0.54) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL17295044 0.84 APLNR (1.00) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL19976901 0.84 GAA (0.59) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL16994063 0.83 APLNR (0.65) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL19976980 0.81 NPC1 (0.66) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL25080539 0.80 APLNR (0.61) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL18261133 0.80 APLNR (0.61) APLNRMAPTSMN1; SMN2GAAKMT2A
SCHEMBL16999271 0.80 APLNR (0.61) APLNRMAPTSMN1; SMN2GAAKMT2A

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