SCHEMBL19977083

SCHEMBL19977083

CC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1-n1ccnn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
KCNQ2 O43526 3/20 0.39
HSPA5 P11021 1/20 0.38
HSPA9 P38646 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL19976981 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ABCG2ABCB1ALDH1A1LMNA
SCHEMBL19977021 0.86 ALDH1A1 (0.51) SMN1; SMN2ABCG2ABCB1ALDH1A1KMT2A
SCHEMBL16999791 0.82 USP30 (0.48) ABCG2ABCB1KMT2A
SCHEMBL19977020 0.81 ALDH1A1 (0.47) SMN1; SMN2ABCG2ABCB1ALDH1A1KMT2A
SCHEMBL19977140 0.78 ATM (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL19977082 0.77 KCNQ2 (0.65) SMN1; SMN2ALDH1A1LMNAKCNQ2PLA2G1B
SCHEMBL19976934 0.77 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1LMNAGFERKCNQ2
SCHEMBL4468269 0.77 ABCG2 (0.44) SMN1; SMN2ABCG2ABCB1ALDH1A1KCNQ2
SCHEMBL19977048 0.76 KCNQ2 (0.64) SMN1; SMN2ALDH1A1LMNAKCNQ2PLA2G1B
SCHEMBL19977050 0.75 MAPK1 (0.63) SMN1; SMN2ALDH1A1KCNQ2PLA2G1BATG4B

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