SCHEMBL31514466

SCHEMBL31514466

COC(=O)c1c(O)c2c(n(C)c1=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.48
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 9/20 0.42
▸ MAPT P10636 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TLR2 O60603 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL31514430 0.83 TSHR (0.45) USP2TSHRALDH1A1MAPTHPGD
SCHEMBL2746322 0.76 TSHR (0.61) USP2TSHRALDH1A1MAPTHPGD
SCHEMBL19140899 0.73 MAPK1 (0.51) USP2ALDH1A1MAPTHPGDHSD17B10
SCHEMBL19140752 0.73 MAPK1 (0.44) USP2ALDH1A1MAPTHPGDHSD17B10
SCHEMBL26088483 0.72 ALDH1A1 (0.34) USP2ALDH1A1MAPTMAPK1KDM4E
SCHEMBL5516804 0.72 TSHR (0.48) USP2TSHRALDH1A1MAPTHPGD
SCHEMBL1400072 0.69 KDM4E (0.49) TSHRALDH1A1MAPTHPGDHSD17B10
SCHEMBL17629599 0.69 EGLN1 (0.70) TSHRALDH1A1MAPTHPGDHSD17B10
SCHEMBL20546213 0.68 KDM4E (0.47) TSHRALDH1A1MAPTMAPK1LMNA
SCHEMBL8114138 0.68 USP2 (0.94) USP2TSHRALDH1A1MAPTHPGD

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-2025045145-A1 WRN HELICASE-INHIBITING BIS-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 广州科恩泰生物医药科技有限公司 2025-03-06 — — WO disclosed
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