SCHEMBL28518683

SCHEMBL28518683

CC(=O)Nc1cc(C(=O)O)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.57
HCAR2 Q8TDS4 1/20 0.53
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
NR1I2 O75469 1/20 0.50
AHR P35869 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DYRK1A Q13627 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALPL P05186 6/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CA9 Q16790 4/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL23854654 0.82 MAPK1 (0.59) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL13678342 0.81 RAB9A (0.47) HCAR3HCAR2RAB9ANPC1NR1I2
SCHEMBL16534093 0.77 HCAR3 (0.49) HCAR3HCAR2DYRK1AALPLTP53
SCHEMBL15318182 0.77 RAB9A (0.53) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL3498417 0.77 CCNA2 (0.60) HCAR2RAB9ANPC1NR1I2AHR
SCHEMBL4420465 0.77 RAB9A (0.57) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL15318183 0.76 RAB9A (0.51) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL15318181 0.76 RAB9A (0.51) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL14397160 0.75 HCAR3 (0.47) HCAR3HCAR2RAB9ANPC1ALPL
SCHEMBL11001220 0.73 MAPK14 (0.53) RAB9ANPC1NR1I2AHRSMN1; SMN2

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
CN-112334462-A OGA inhibitor compounds 詹森药业有限公司 2021-02-05 CN disclosed