SCHEMBL29484609

SCHEMBL29484609

CC(=O)Nc1cccc(C(=O)O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
LMNA P02545 1/20 1.00
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ACMSD Q8TDX5 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GRM5 P41594 2/20 0.53
MAPK8 P45983 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SORT1 Q99523 1/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
ADORA2A P29274 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL2251120 1.00 KDM4E (1.00) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL9297638 0.87 KDM4E (0.77) KDM4ELMNAGRM5MAPK8MEN1
SCHEMBL821844 0.84 KDM4E (0.71) KDM4ELMNAGRM5MAPK8MEN1
SCHEMBL7798242 0.84 KDM4E (0.72) KDM4ELMNAGRM5MAPK8MEN1
SCHEMBL38656393 0.82 KDM4E (0.70) KDM4ELMNAGRM5MAPK8MEN1
SCHEMBL28542399 0.82 KDM4E (0.70) KDM4ELMNAGRM5MAPK8MEN1
SCHEMBL30951916 0.81 KDM4E (0.68) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL3117402 0.81 KDM4E (0.68) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL13765760 0.81 KDM4E (0.68) KDM4ELMNAGRM5MAPK8MEN1
SCHEMBL12664038 0.81 KDM4E (0.68) KDM4ELMNAGRM5MAPK8MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022057932-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed
WO-2022057928-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed