SCHEMBL31295782

SCHEMBL31295782

CCc1c(/C=C2/CNC(C)(C)C2)c(=O)n2nc(C3=CCC(O)CC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.48
▸ ACHE P22303 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL31295762 0.93 WRN (0.47) WRNACHEALDH1A1MAPTCYP3A4
SCHEMBL31295796 0.89 WRN (0.61) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295795 0.88 WRN (0.55) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295853 0.88 WRN (0.48) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295769 0.88 WRN (0.48) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295801 0.88 WRN (0.50) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295763 0.87 WRN (0.50) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295754 0.86 WRN (0.45) WRNACHE
SCHEMBL31295837 0.85 WRN (0.54) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31295816 0.84 WRN (0.59) WRN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735447-A1 AROMATIC NITROGEN-CONTAINING COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2026-05-06 — — EP disclosed
WO-2025002413-A1 AROMATIC NITROGEN-CONTAINING COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-01-02 — — WO disclosed
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