SCHEMBL19976919

SCHEMBL19976919

Cc1ccc(F)cc1NC(=O)C(C)NC(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
ESR1 P03372 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL19976943 0.91 KMT2A (0.48) LMNAESR1MEN1KMT2AALDH1A1
SCHEMBL19976969 0.89 ALDH1A1 (0.49) LMNAESR1MEN1KMT2AALDH1A1
SCHEMBL19976930 0.87 ALDH1A1 (0.55) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL19976950 0.86 ALDH1A1 (0.51) LMNAESR1MEN1KMT2AALDH1A1
SCHEMBL19976994 0.85 PGR (0.57) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL19976968 0.85 KCNMA1 (0.57) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL19977047 0.84 MRGPRX1 (0.45) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL16999570 0.82 CTSL (0.52) MEN1KMT2AALDH1A1
SCHEMBL18261144 0.82 CTSL (0.52) MEN1KMT2AALDH1A1
SCHEMBL19976913 0.81 LMNA (0.43) LMNAESR1KMT2AALDH1A1HPGD

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