SCHEMBL31335635

SCHEMBL31335635

Cc1c[nH]c2cc(O)c(C(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.43
GRM1 Q13255 1/20 0.42
NOTUM Q6P988 2/20 0.42
PRKAB2 O43741 6/20 0.42
PRKAG1 P54619 6/20 0.42
PRKAA2 P54646 6/20 0.42
PRKAA1 Q13131 6/20 0.42
PRKAG3 Q9UGI9 6/20 0.42
PRKAG2 Q9UGJ0 6/20 0.42
PRKAB1 Q9Y478 6/20 0.42
MCL1 Q07820 3/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MPL P40238 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRIN2D O15399 1/20 0.39

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
SCHEMBL25156289 0.84 NOTUM (0.44) NOTUMPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29638857 0.78 SRC (0.48) MCL1HSD17B10KDM4EHPGDALDH1A1
SCHEMBL435044 0.78 SRC (0.48) MCL1HSD17B10KDM4EHPGDALDH1A1
SCHEMBL1885488 0.77 F7 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18088275 0.77 KDM4E (0.54) CSNK2A1HSD17B10KDM4EGAAHPGD
SCHEMBL13506440 0.76 F7 (0.53) NOTUMPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15730605 0.75 ATM (0.43) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL9442095 0.73 GPR35 (0.69) F7F3HSD17B10KDM4EHPGD
SCHEMBL12657284 0.73 ATM (0.54) NOTUMHSD17B10KDM4EHPGDALDH1A1
SCHEMBL28706306 0.72 F7 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed