SCHEMBL31147874

SCHEMBL31147874

CCOC(=O)Cn1cc(-c2ccc(F)c(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.43
SCD O00767 1/20 0.43
KCNH2 Q12809 10/20 0.43
NAMPT P43490 1/20 0.42
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 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
SCHEMBL31147921 0.81 PDK2 (0.45) GRIN2BKCNH2NAMPTS1PR1
SCHEMBL10439151 0.80 SMN1; SMN2 (0.55) ALDH1A1TSHRGAA
SCHEMBL22642936 0.80 KCNH2 (0.53) GRIN2BKCNH2NAMPT
SCHEMBL10439316 0.80 ALDH1A1 (0.48) ALDH1A1GAA
SCHEMBL19155220 0.79 CTSK (0.53) GRIN2BKCNH2NAMPT
SCHEMBL23162255 0.75 PIK3C3 (0.40) SCD
SCHEMBL22775550 0.75 GRIN2B (0.57) GRIN2B
SCHEMBL31147878 0.73 GRIN2B (0.46) GRIN2BALDH1A1TSHRMAPK1GAA
SCHEMBL12124191 0.73 ALPI (0.49) ALDH1A1MAPK1
SCHEMBL16648923 0.73 HCRTR1 (0.45) GRIN2BKCNH2NAMPT

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-4695240-A2 CYCLIC VINYL SULFONE WRN INHIBITORS Nimbus Wadjet, Inc. (US) 2026-02-18 EP disclosed
WO-2024215923-A2 CYCLIC VINYL SULFONE WRN INHIBITORS NIMBUS WADJET, INC. (US) 2024-10-17 WO disclosed