SCHEMBL28635736

SCHEMBL28635736

CC(OC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PSIP1 O75475 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD11B1 P28845 4/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL27698103 0.87 TSHR (0.56) TSHRLMNAHSD17B10CA12CA1
SCHEMBL9808496 0.87 TSHR (0.46) TSHRLMNAHSD17B10CA12CA1
SCHEMBL787248 0.85 TSHR (0.44) TSHRLMNAHSD17B10CA12CA1
SCHEMBL28023655 0.84 TSHR (0.50) TSHRLMNAHSD17B10CA12CA1
SCHEMBL27948846 0.84 TSHR (0.47) TSHRLMNAHSD17B10PSIP1CA12
SCHEMBL3182768 0.81 LMNA (0.42) TSHRLMNAHSD17B10CA12CA1
SCHEMBL5872395 0.81 LMNA (0.45) TSHRLMNAHSD17B10CA12CA1
SCHEMBL4751896 0.80 CHRM2 (0.48) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL27671277 0.79 ATM (0.44) TSHRLMNAHSD17B10CA12CA1
SCHEMBL9045030 0.77 LMNA (0.48) TSHRLMNAHSD17B10CA12CA1

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-113444086-A Ezh2 inhibitor and application thereof 达纳-法伯癌症研究所股份有限公司 2021-09-28 CN disclosed