SCHEMBL31590763

SCHEMBL31590763

Cc1cnn2ccc(C(=O)O)c(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ EPHB3 P54753 1/20 0.36
▸ NOTUM Q6P988 2/20 0.36
▸ SELL P14151 1/20 0.35
▸ SELP P16109 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ HMGB1 P09429 1/20 0.33
▸ CXCL12 P48061 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GRM1 Q13255 1/20 0.33

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
SCHEMBL31589732 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL1701947 0.73 L3MBTL1 (0.40) KDM4EALDH1A1L3MBTL1EPHB3NR4A3
SCHEMBL1290436 0.72 EPHB3 (0.58) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL28801140 0.70 EPHB3 (0.43) KDM4EHPGDL3MBTL1EPHB3NOTUM
SCHEMBL1702440 0.70 L3MBTL1 (0.40) KDM4EALDH1A1L3MBTL1EPHB3NR4A3
SCHEMBL359281 0.67 TYK2 (0.53) KDM4EALDH1A1L3MBTL1PKMKMT2A
SCHEMBL16646778 0.67 L3MBTL1 (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL25238938 0.66 CYP1A2 (0.40) KDM4EALDH1A1L3MBTL1GAAPKM
SCHEMBL31056064 0.66 L3MBTL1 (0.39) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3073610 0.66 EPHB3 (0.56) KDM4EALDH1A1HSD17B10L3MBTL1GAA

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-120040475-A Compounds as WRN inhibitors and uses thereof 南京圣和药业股份有限公司 2025-05-27 — — CN disclosed
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