SCHEMBL31364757

SCHEMBL31364757

O=C(O)c1nc(N2CCOCC2)ncc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.48
▸ PTPN11 Q06124 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ KMO O15229 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL27681040 0.84 ALDH1A1 (0.76) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL6868441 0.79 POLB (0.54) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL27586071 0.79 KDM4E (0.54) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL10413764 0.76 KDM4E (0.51) POLBALDH1A1KDM4EKMT2AMAPK1
SCHEMBL605729 0.76 POLB (1.00) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL6865981 0.75 CYP1A2 (0.49) POLBALDH1A1PTPN11MAPK1TSHR
SCHEMBL1013949 0.75 POLB (0.59) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL8085653 0.75 POLB (0.59) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL27533652 0.75 POLB (0.59) POLBALDH1A1KDM4EPTPN11KMT2A
SCHEMBL245978 0.75 PTPN11 (0.69) POLBALDH1A1KDM4EPTPN11KMT2A

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
WO-2025021148-A1 WRN INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 贝达药业股份有限公司 2025-01-30 — — WO disclosed
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