SCHEMBL31563754

SCHEMBL31563754

C=CCc1c(O)nc2c(C(=O)OCC)cnn2c1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
HSD17B10 Q99714 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 3/20 0.51
TSHR P16473 2/20 0.51
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
CASP1 P29466 3/20 0.43
CSNK1D P48730 3/20 0.43
CASP7 P55210 2/20 0.43
MAPT P10636 2/20 0.41
KLK7 P49862 1/20 0.40
GLA P06280 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL31563757 1.00 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL29046221 0.84 KDM4E (0.62) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL17781088 0.81 KDM4E (0.54) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL22105269 0.79 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL21961705 0.78 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL19680290 0.76 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL24496898 0.75 ADORA3 (0.47) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL5598086 0.75 KDM4E (0.61) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL5598029 0.75 SMN1; SMN2 (0.55) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL25118087 0.74 ALDH1A1 (0.64) KDM4EHSD17B10SMN1; SMN2GAATSHR

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-116265467-B Intermediate for synthesizing TYK2 inhibitor, and preparation method and application thereof 成都科岭源医药技术有限公司 2025-04-18 CN disclosed