SCHEMBL19976977

SCHEMBL19976977

CC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1C(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.44
MDM4 O15151 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MDM2 Q00987 1/20 0.41
GPR139 Q6DWJ6 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 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
SCHEMBL19977071 0.90 LMNA (0.45) SMN1; SMN2LMNAKMT2AGFERTP53
SCHEMBL19977124 0.83 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL19976922 0.81 HPGD (0.66) SMN1; SMN2LMNAGFERPOLBHPGD
SCHEMBL19977072 0.81 LMNA (0.54) SMN1; SMN2LMNAKMT2AGFERPOLB
SCHEMBL19976893 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBHPGDMEN1
SCHEMBL16999521 0.79 CTSL (0.55)
SCHEMBL19977069 0.79 ALDH1A1 (0.57) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL19977018 0.78 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKMT2AGFERPOLB
SCHEMBL19976955 0.78 POLB (0.53) SMN1; SMN2LMNATP53POLBHPGD
SCHEMBL19976980 0.78 NPC1 (0.66) LMNAKMT2APOLBHPGDALDH1A1

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