SCHEMBL19977057

SCHEMBL19977057

CC(NC(=O)c1ccccc1)C(=O)Nc1cccc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
BRD4 O60885 1/20 0.42
PDPK1 O15530 1/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
GPR139 Q6DWJ6 2/20 0.38
HSPA5 P11021 1/20 0.38
HSPA9 P38646 1/20 0.38
NT5E P21589 1/20 0.38
NT5C2 P49902 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CYP3A4 P08684 1/20 0.37
ROCK2 O75116 1/20 0.37
LIMK1 P53667 1/20 0.37
MAPT P10636 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
SCHEMBL19976997 0.85 MAPT (0.41) LMNANPC1RAB9AMAPT
SCHEMBL19977103 0.84 KMT2A (0.46) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL16993957 0.82 USP30 (0.51)
SCHEMBL16999822 0.82 USP30 (0.51)
SCHEMBL19976902 0.79 SMN1; SMN2 (0.45) SMN1; SMN2LMNAGFERGPR139NPC1
SCHEMBL19976894 0.78 ALDH1A1 (0.62) SMN1; SMN2LMNACYP3A4MAPT
SCHEMBL19976965 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAGFERGPR139HSPA5
SCHEMBL19976900 0.77 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGFERNPC1RAB9A
SCHEMBL19976958 0.77 SMN1; SMN2 (0.56) SMN1; SMN2LMNAGFERHSPA5HSPA9
SCHEMBL19977125 0.76 SMN1; SMN2 (0.45) SMN1; SMN2LMNAGFERHSPA5HSPA9

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