SCHEMBL19976922

SCHEMBL19976922

Cc1ccccc1NC(=O)C(C)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.66
POLB P06746 1/20 0.66
PGR P06401 1/20 0.57
SCN1A P35498 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
EPHX1 P07099 1/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 2/20 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
SCHEMBL19976955 0.90 POLB (0.53) HPGDPOLBPGRSCN1ASCN2A
SCHEMBL19976974 0.88 MEN1 (0.58) HPGDPOLBPGRSCN1ASCN2A
SCHEMBL19977019 0.85 ALDH1A1 (0.61) HPGDPOLBPGRSCN1ASCN2A
SCHEMBL19976994 0.85 PGR (0.57) HPGDPOLBPGRSCN1ASCN2A
SCHEMBL19976950 0.84 ALDH1A1 (0.51) HPGDPOLBLMNAGAAMAPT
SCHEMBL19976953 0.84 LMNA (0.56) POLBLMNAGAAMAPTHTT
SCHEMBL19976951 0.84 HDAC1 (0.51) HPGDPOLBLMNAMAPTHTT
SCHEMBL19977124 0.84 SMN1; SMN2 (0.62) LMNAGAAMAPTRAB9ASMN1; SMN2
SCHEMBL19976956 0.83 PGR (0.53) HPGDPOLBPGRSCN1ASCN2A
SCHEMBL19977069 0.82 ALDH1A1 (0.57) HPGDPOLBLMNAMAPTHTT

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