SCHEMBL31350326

SCHEMBL31350326

CNC(=O)c1c(C(F)F)sc2cccc(OCc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
BRD4 O60885 2/20 0.41
EDNRA P25101 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.40
SGMS2 Q8NHU3 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR3A P46098 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31350393 0.88 FOLH1 (0.46) MEN1KMT2AEDNRANPC1MAPT
SCHEMBL31350321 0.85 ALDH1A1 (0.44) KMT2AEDNRASGMS2ALDH1A1LMNA
SCHEMBL31350404 0.84 MEN1 (0.47) MEN1KMT2ABRD4EDNRANPC1
SCHEMBL31350332 0.82 MEN1 (0.42) MEN1KMT2ABRD4NPC1SGMS2
SCHEMBL31350343 0.82 HTR3A (0.47) MEN1KMT2ABRD4SGMS2ALDH1A1
SCHEMBL31350333 0.82 NOTUM (0.41) NPC1SGMS2ALDH1A1MAPTLMNA
SCHEMBL31350362 0.81 SGMS2 (0.40) MEN1KMT2ANPC1SGMS2MAPT
SCHEMBL31350355 0.81 SLC6A5 (0.51) KMT2ALMNA
SCHEMBL31350331 0.81 HTR3A (0.46) MEN1KMT2ASGMS2ALDH1A1HTR3A
SCHEMBL31350328 0.80 BRD4 (0.45) MEN1KMT2ABRD4SGMS2ALDH1A1

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
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed