SCHEMBL19977030

SCHEMBL19977030

COc1ccccc1NC(=O)C(C)NC(=O)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.53
PYGL P06737 2/20 0.53
KMT2A Q03164 4/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 2/20 0.50
RORC P51449 1/20 0.49
METAP2 P50579 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL19977046 0.87 KMT2A (0.50) MAPTSMN1; SMN2PYGLKMT2AMEN1
SCHEMBL19977032 0.86 MAPT (0.55) MAPTSMN1; SMN2POLBGAAKMT2A
SCHEMBL19976990 0.85 KMT2A (0.60) MAPTSMN1; SMN2PYGLKMT2AHDAC1
SCHEMBL19976910 0.83 PGR (0.52) MAPTSMN1; SMN2GAAPYGLKMT2A
SCHEMBL19976980 0.82 NPC1 (0.66) MAPTPOLBKMT2AHDAC1MEN1
SCHEMBL18261161 0.82 IDO1 (0.51) MAPTSMN1; SMN2POLBGAARECQL
SCHEMBL16999326 0.82 IDO1 (0.51) MAPTSMN1; SMN2POLBGAARECQL
SCHEMBL19977133 0.81 HPGD (0.54) MAPTPOLBGAAKMT2AMEN1
SCHEMBL19976905 0.78 KMT2A (0.56) MAPTPOLBKMT2AMEN1METAP2
SCHEMBL19977016 0.78 ALDH1A1 (0.74) MAPTPOLBKMT2AMEN1METAP2

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