SCHEMBL29550347

SCHEMBL29550347

CS(=O)(=O)c1ccc(C=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.38
▸ EPAS1 Q99814 9/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL1309456 0.72 — —
SCHEMBL2818048 0.67 — —
SCHEMBL9766726 0.66 ALDH1A1 (0.53) HIF1AEPAS1ALDH1A1MAPTCYP2A6
SCHEMBL29030402 0.64 HIF1A (0.39) HIF1AEPAS1ALDH1A1MAPTCYP2A6
SCHEMBL12967454 0.64 KDM4E (0.43) ALDH1A1MAPT
SCHEMBL8594118 0.64 HIF1A (0.40) HIF1AEPAS1ALDH1A1MAPTCYP2A6
SCHEMBL8594116 0.64 HIF1A (0.40) HIF1AEPAS1ALDH1A1MAPTCYP2A6
SCHEMBL11173825 0.62 — —
SCHEMBL7616986 0.62 HIF1A (0.39) HIF1AEPAS1ALDH1A1MAPTCYP2A6
SCHEMBL4968315 0.62 HIF1A (0.39) HIF1AEPAS1ALDH1A1MAPTCYP2A6

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-110357878-B 1, 3-dihydro-2H-pyrrolo [3,2-b ] pyridin-2-one derivatives and medical use thereof 武汉誉祥医药科技有限公司 2022-04-12 — — CN disclosed
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