SCHEMBL30728748

SCHEMBL30728748

COC(=O)c1ccncc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 4/20 0.64
GLA P06280 2/20 0.64
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.50
ORAI1 Q96D31 2/20 0.45
STIM1 Q13586 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
HSD17B10 Q99714 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NCOA1 Q15788 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
POLB P06746 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
SCHEMBL1329736 1.00 KDM4E (0.64) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL29416299 0.82 KDM4E (0.70) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL68952 0.82 KDM4E (0.70) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL27886976 0.82 KDM4E (0.49) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL15454029 0.81 KDM4E (0.42) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL17820387 0.81 KDM4E (0.42) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL27814741 0.81 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL3290788 0.81 TSHR (0.50) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL28904581 0.80 KMT2A (0.46) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9107394 0.79 KDM4E (0.66) KDM4EALDH1A1GLAGAAL3MBTL1

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-4558489-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP disclosed
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO disclosed