SCHEMBL19976916

SCHEMBL19976916

Cc1ccccc1C(=O)NC(C)C(=O)Nc1ccccc1OC(F)F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 4/20 0.46
RAB9A P51151 1/20 0.46
ALOX12 P18054 2/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALPL P05186 1/20 0.42
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL19977035 0.88 KMT2A (0.61) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL19977046 0.87 KMT2A (0.50) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL19977032 0.86 MAPT (0.55) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL19976893 0.84 SMN1; SMN2 (0.60) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL19976994 0.83 PGR (0.57) KMT2AHTTMEN1RAB9AALOX12
SCHEMBL16994044 0.82 CTSV (0.48) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL24862996 0.81 KMT2A (0.45) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL19977006 0.79 APLNR (0.54) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL19977133 0.79 HPGD (0.54) KMT2AHTTMEN1RAB9AKDM4E
SCHEMBL24862994 0.79 HPGD (0.52) KMT2AHTTSMN1; SMN2MEN1RAB9A

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