SCHEMBL19976973

SCHEMBL19976973

CC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2c1OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 3/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ATR Q13535 1/20 0.39
ALOX15 P16050 1/20 0.38
CXCR2 P25025 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL16999811 0.83 PSMB5 (0.46) POLB
SCHEMBL16994039 0.83 PSMB5 (0.46) POLB
SCHEMBL19976937 0.82 TP53 (0.52) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL19977043 0.82 MAPT (0.53) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL19976915 0.81 MEN1 (0.48) KMT2AMEN1MAPTATRALOX15
SCHEMBL19976906 0.77 PGR (0.52) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL19976990 0.74 KMT2A (0.60) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL19976954 0.73 KMT2A (0.53) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL19977044 0.72 TRPV1 (0.53) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL1441735 0.72 ATR (0.49) HTTMAPTLMNATP53POLB

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