SCHEMBL19977032

SCHEMBL19977032

COc1ccccc1NC(=O)C(C)NC(=O)c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
METAP2 P50579 1/20 0.50
GFER P55789 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 1/20 0.49
ANPEP P15144 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
SCHEMBL19977133 0.90 HPGD (0.54) MAPTALDH1A1KMT2APOLBGAA
SCHEMBL19976930 0.88 ALDH1A1 (0.55) MAPTALDH1A1KMT2APOLBGAA
SCHEMBL19976916 0.86 KMT2A (0.51) MAPTALDH1A1KMT2AHPGDALOX12
SCHEMBL19976994 0.86 PGR (0.57) MAPTALDH1A1KMT2APOLBGAA
SCHEMBL19976990 0.86 KMT2A (0.60) MAPTALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL19977030 0.86 MAPT (0.57) MAPTALDH1A1KMT2APOLBGAA
SCHEMBL19977016 0.86 ALDH1A1 (0.74) MAPTALDH1A1KMT2APOLBNPSR1
SCHEMBL11784909 0.83 KMT2A (0.72) MAPTALDH1A1KMT2APOLBGAA
SCHEMBL19976980 0.83 NPC1 (0.66) MAPTALDH1A1KMT2APOLBHPGD
SCHEMBL16999361 0.81 IDO1 (0.52) MAPTALDH1A1KMT2APOLBGAA

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