SCHEMBL19976958

SCHEMBL19976958

Cc1ncccc1NC(=O)C(C)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
KDR P35968 1/20 0.46
HSPA5 P11021 1/20 0.44
HSPA9 P38646 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.43
HDAC1 Q13547 1/20 0.42
HTT P42858 2/20 0.42
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 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
SCHEMBL19977039 0.84 KDR (0.70) SMN1; SMN2KDRPOLBHDAC1HTT
SCHEMBL19976989 0.84 SMN1; SMN2 (0.53) SMN1; SMN2KDRHSPA5HSPA9LMNA
SCHEMBL19976894 0.83 ALDH1A1 (0.62) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL19976922 0.82 HPGD (0.66) SMN1; SMN2POLBHPGDLMNAGFER
SCHEMBL16999792 0.82 USP30 (0.57) KMT2A
SCHEMBL19977038 0.80 SMN1; SMN2 (0.62) SMN1; SMN2POLBLMNAALDH1A1MEN1
SCHEMBL19976955 0.78 POLB (0.53) SMN1; SMN2POLBHPGDLMNAHTT
SCHEMBL12304228 0.78 TP53 (0.54) SMN1; SMN2HPGDLMNAHTTP2RX7
SCHEMBL19977124 0.78 SMN1; SMN2 (0.62) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL19977019 0.77 ALDH1A1 (0.61) SMN1; SMN2POLBHPGDLMNAHDAC1

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