SCHEMBL19977067

SCHEMBL19977067

COc1ccc(Cl)cc1NC(=O)C(C)NC(=O)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
ALDH1A1 P00352 6/20 0.57
NPSR1 Q6W5P4 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 4/20 0.55
METAP2 P50579 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 6/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KCNMA1 Q12791 1/20 0.51
POLB P06746 1/20 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
SCHEMBL19977009 0.89 KMT2A (0.53) CRHBPCRHR2ALDH1A1LMNAKMT2A
SCHEMBL19977016 0.88 ALDH1A1 (0.74) CRHBPCRHR2ALDH1A1NPSR1L3MBTL1
SCHEMBL19976990 0.86 KMT2A (0.60) ALDH1A1L3MBTL1KMT2AKDM4EMEN1
SCHEMBL19977031 0.85 KCNMA1 (0.54) ALDH1A1NPSR1L3MBTL1LMNAKMT2A
SCHEMBL16993912 0.84 PSMB5 (0.58) CRHBPCRHR2ALDH1A1NPSR1L3MBTL1
SCHEMBL16999548 0.84 PSMB5 (0.58) CRHBPCRHR2ALDH1A1NPSR1L3MBTL1
SCHEMBL19976954 0.80 KMT2A (0.53) ALDH1A1L3MBTL1LMNAKMT2AKDM4E
SCHEMBL19976930 0.79 ALDH1A1 (0.55) CRHBPCRHR2ALDH1A1NPSR1L3MBTL1
SCHEMBL19976976 0.77 KMT2A (0.56) ALDH1A1NPSR1L3MBTL1LMNAKMT2A
SCHEMBL19977001 0.77 KMT2A (0.47) ALDH1A1NPSR1L3MBTL1LMNAKMT2A

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