SCHEMBL23905178

SCHEMBL23905178

C=C/C=C(\C=C/C)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PARP10 Q53GL7 6/20 0.37
THRB P10828 3/20 0.35
THRA P10827 2/20 0.35
CYP17A1 P05093 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PARP1 P09874 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL19119624 0.78 CES1 (0.36) MEN1KMT2A
SCHEMBL18446031 0.75
SCHEMBL24001324 0.71 PARP10 (0.34) PARP10KDM4EPARP1CA1CA2
SCHEMBL20169824 0.70 CTBP2 (0.34) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL24311856 0.69 SMN1; SMN2 (0.44) KDM4ECA1CA2MEN1KMT2A
SCHEMBL21156002 0.69
SCHEMBL23963890 0.69 ALDH1A1 (0.43) KDM4ENR1H4CA1CA2MEN1
SCHEMBL28151928 0.68 PLA2G10 (0.53) PLA2G10PLA2G2APARP10CYP17A1KDM4E
SCHEMBL7149167 0.68 PLA2G10 (0.53) PLA2G10PLA2G2APARP10CYP17A1KDM4E
SCHEMBL21235456 0.68 GFER (0.32)

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
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed