SCHEMBL19976914

SCHEMBL19976914

CC(NC(=O)c1cccs1)C(=O)Nc1cccc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DHPS P49366 8/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
ECE1 P42892 1/20 0.43
USP30 Q70CQ3 1/20 0.42
HSPA5 P11021 2/20 0.41
HSPA9 P38646 1/20 0.41
HSPA2 P54652 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL31156453 0.84 PARP1 (0.72) PARP1MEN1KMT2ADHPSMAPK1
SCHEMBL19976925 0.83 TRPV1 (0.53) MEN1KMT2ADHPSRAB9ANPC1
SCHEMBL19976903 0.82 MEN1 (0.50) PARP1MEN1KMT2AMAPK1RAB9A
SCHEMBL16994046 0.82 USP30 (0.61) PARP1MEN1KMT2ADHPSMAPT
SCHEMBL19977141 0.81 DHPS (0.56) PARP1DHPSMAPK1RAB9ANPC1
SCHEMBL19977090 0.78 DHPS (0.46) PARP1MEN1KMT2ADHPSMAPK1
SCHEMBL19976901 0.77 GAA (0.59) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL19976946 0.77 ALDH1A1 (0.65) MEN1KMT2AMAPTHSPA5HSPA9
SCHEMBL19976962 0.76 TRPV1 (0.52) MEN1KMT2AMAPK1TRPV1
SCHEMBL19976947 0.76 MEN1 (0.53) MEN1KMT2AMAPK1RAB9ANPC1

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