SCHEMBL31589732

SCHEMBL31589732

CCOC(=O)c1ccn2ncc(C)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAP2K1 Q02750 2/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ KDR P35968 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
SCHEMBL31590763 0.81 KDM4E (0.43) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL16309064 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL16309075 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL24712976 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL12283713 0.75 AAK1 (0.48) SMN1; SMN2ALDH1A1HPGDRAB9ATSHR
SCHEMBL16309072 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL26537904 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL18863880 0.74 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL25780650 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2
SCHEMBL31056284 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDRAB9ADRD2

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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