SCHEMBL31295762

SCHEMBL31295762

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.47
▸ ACHE P22303 1/20 0.33
▸ SCN9A Q15858 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL31295782 0.93 WRN (0.48) WRNACHEALDH1A1MAPTCYP3A4
SCHEMBL31295769 0.89 WRN (0.48) WRNACHEALDH1A1MAPTPOLB
SCHEMBL31295853 0.89 WRN (0.48) WRNACHEALDH1A1MAPTPOLB
SCHEMBL31295796 0.87 WRN (0.61) WRNACHEALDH1A1MAPTPOLB
SCHEMBL31295872 0.87 WRN (0.44) WRNACHE
SCHEMBL31295795 0.87 WRN (0.55) WRNACHEALDH1A1MAPTPOLB
SCHEMBL31295801 0.86 WRN (0.50) WRNACHEALDH1A1MAPTPOLB
SCHEMBL31295763 0.86 WRN (0.50) WRNACHEALDH1A1MAPTPOLB
SCHEMBL30984140 0.85 WRN (0.53) WRNACHESCN9AALDH1A1MAPT
SCHEMBL30984267 0.83 WRN (0.58) WRNACHESCN9AALDH1A1MAPT

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
Send feedback