SCHEMBL25810895

SCHEMBL25810895

CNCCNc1ccc2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.50
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.46
SRD5A2 P31213 1/20 0.46
TBXAS1 P24557 1/20 0.43
PIN1 Q13526 1/20 0.43
PDPK1 O15530 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR35 Q9HC97 1/20 0.43
ALOX15 P16050 4/20 0.43
NPC1 O15118 1/20 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
SCHEMBL3633240 0.84 EIF4A3 (0.54) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL25810893 0.83 ALOX15 (0.60) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL27785515 0.79 EIF4A3 (0.48) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL29865102 0.77 EIF4A3 (0.55) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL3033200 0.77 EIF4A3 (0.55) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL28578488 0.76 KDM4E (0.54) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL5261401 0.74 MMP2 (0.54) EIF4A3KDM4EHPGDHSD17B10MAPT
Hydrochloric Acid SCHEMBL16395943 0.74 EIF4A3 (0.49) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL30909341 0.74 HSD17B10 (0.51) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL30909340 0.74 HSD17B10 (0.51) EIF4A3KDM4EHPGDHSD17B10MAPT

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed