SCHEMBL31350328

SCHEMBL31350328

O=C(NC1CCOC1)c1c(C(F)F)sc2cccc(OCc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
HTR3A P46098 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
RAB9A P51151 2/20 0.41
CNR2 P34972 2/20 0.38
GABRA5 P31644 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.35
DGAT2 Q96PD7 1/20 0.35

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
SCHEMBL31350332 0.85 MEN1 (0.42) BRD4HTR3AMEN1KMT2AALDH1A1
SCHEMBL31350343 0.84 HTR3A (0.47) BRD4HTR3AMEN1KMT2AALDH1A1
SCHEMBL31350331 0.83 HTR3A (0.46) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL26793660 0.82 HTR3A (0.44) BRD4HTR3AALDH1A1RAB9ACNR2
SCHEMBL31350326 0.80 MEN1 (0.43) BRD4HTR3AMEN1KMT2AALDH1A1
SCHEMBL31350330 0.80 APOL1 (0.40) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350393 0.79 FOLH1 (0.46) MEN1KMT2ARAB9A
SCHEMBL31350321 0.76 ALDH1A1 (0.44) KMT2AALDH1A1SGMS2
SCHEMBL31350345 0.76 HTR3A (0.39) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350382 0.76 ALDH1A1 (0.40) HTR3AKMT2AALDH1A1HSD17B10

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