SCHEMBL19976981

SCHEMBL19976981

Cc1c(NC(=O)C(C)NC(=O)c2ccccc2)cccc1-n1ccnn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 3/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 2/20 0.36
GPR139 Q6DWJ6 2/20 0.36
HSPA5 P11021 1/20 0.36
HSPA9 P38646 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 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
SCHEMBL19977083 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL19977140 0.87 ATM (0.52) SMN1; SMN2ATMMEN1KMT2APOLB
SCHEMBL19977139 0.82 KDM4E (0.42) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL19977081 0.79 KCNQ2 (0.54) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL19977021 0.78 ALDH1A1 (0.51) SMN1; SMN2ATMMEN1KMT2APOLB
SCHEMBL19976955 0.78 POLB (0.53) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL19977018 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL19977072 0.76 LMNA (0.54) SMN1; SMN2KMT2APOLBLMNAGFER
SCHEMBL19977070 0.75 KCNK3 (0.48) SMN1; SMN2POLBALDH1A1LMNAGFER
SCHEMBL16999791 0.74 USP30 (0.48) KMT2AABCB1ABCG2

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