SCHEMBL23536455

SCHEMBL23536455

COc1ccc(CN2C(=O)C(c3ccc(Cl)cc3F)Oc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.67
ADK P55263 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.42
F10 P00742 1/20 0.42
TSHR P16473 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL29931964 1.00 GSK3B (0.67) GSK3BADKL3MBTL1MEN1KMT2A
SCHEMBL7117167 0.76 GSK3B (0.61) GSK3BADKL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7467559 0.71 TSHR (0.58) GSK3BADKL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18619418 0.69 GSK3B (0.53) GSK3BADKL3MBTL1F10TSHR
SCHEMBL7116601 0.69 F10 (0.69) GSK3BADKMEN1KMT2AF10
SCHEMBL7123884 0.69 F10 (0.64) GSK3BADKL3MBTL1F10MAPT
SCHEMBL27143122 0.68 CMA1 (0.47) GSK3BMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8554715 0.67 L3MBTL1 (1.00) GSK3BADKL3MBTL1MEN1KMT2A
SCHEMBL7115355 0.66 F10 (0.64) GSK3BADKL3MBTL1ALDH1A1F10
SCHEMBL7117172 0.66 F10 (0.64) GSK3BADKL3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed