SCHEMBL19977038

SCHEMBL19977038

CC(NC(=O)c1ccccc1)C(=O)Nc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 1/20 0.61
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
PKM P14618 3/20 0.58
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.51
F2 P00734 1/20 0.51
FFAR2 O15552 1/20 0.50
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL28208633 0.80 POLB (0.65) SMN1; SMN2POLBRAB9ANPC1PKM
SCHEMBL30887863 0.80 POLB (0.65) SMN1; SMN2POLBRAB9ANPC1PKM
SCHEMBL13255724 0.80 POLB (0.65) SMN1; SMN2POLBRAB9ANPC1PKM
SCHEMBL29366822 0.80 RAB9A (0.89) SMN1; SMN2RAB9ANPC1PKMNPSR1
SCHEMBL997866 0.80 RAB9A (0.89) SMN1; SMN2RAB9ANPC1PKMNPSR1
SCHEMBL19976958 0.80 SMN1; SMN2 (0.56) SMN1; SMN2POLBRAB9ANPC1NPSR1
Hydrochloric Acid SCHEMBL30887874 0.79 POLB (0.63) SMN1; SMN2POLBRAB9ANPC1PKM
SCHEMBL16999083 0.79 KMT2A (0.64) RAB9ANPC1PKMNPSR1MEN1
SCHEMBL19976892 0.79 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1NPSR1MEN1
SCHEMBL19977036 0.78 JAK2 (0.64) SMN1; SMN2POLBMEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed