SCHEMBL19977090

SCHEMBL19977090

CC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.42
PARP1 P09874 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 1/20 0.41
SRC P12931 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
POLB P06746 1/20 0.40
CCKAR P32238 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19977141 0.84 DHPS (0.56) DHPSMAPK1PARP1SMN1; SMN2TRPV1
SCHEMBL19977084 0.83 DHPS (0.46) DHPSMEN1KMT2AMAPK1PARP1
SCHEMBL19977044 0.83 TRPV1 (0.53) DHPSMEN1KMT2ALMNASMN1; SMN2
SCHEMBL19976949 0.82 KMT2A (0.45) MEN1KMT2ALMNASMN1; SMN2TRPV1
SCHEMBL16994015 0.82 HPGDS (0.48) CCKARITGB2ICAM1ITGAL
SCHEMBL19976905 0.81 KMT2A (0.56) DHPSMEN1KMT2APOLB
SCHEMBL19976985 0.80 TRPV1 (0.52) DHPSLMNASMN1; SMN2TRPV1HTT
SCHEMBL19976913 0.79 LMNA (0.43) DHPSKMT2ALMNAHDAC3HDAC1
SCHEMBL19976906 0.78 PGR (0.52) MEN1KMT2AMAPK1LMNASMN1; SMN2
SCHEMBL19976914 0.78 PARP1 (0.54) DHPSMEN1KMT2AMAPK1PARP1

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