SCHEMBL31311233

SCHEMBL31311233

Nc1nc(-c2ccc(F)c(Cl)c2)c(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.50
ADORA1 P30542 2/20 0.48
ADORA2A P29274 1/20 0.48
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHB4 P54760 2/20 0.42
RORB Q92753 5/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 1/20 0.38
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL31311302 0.88 MPL (0.47) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL25280365 0.86 MPL (0.66) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL30464966 0.86 MPL (0.66) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL28651159 0.86 MPL (0.50) MPLADORA1ALOX15HSD17B10KDM4E
SCHEMBL31311278 0.84 MPL (0.52) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL31311397 0.82 MPL (0.66) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL12495409 0.80 HTT (0.55) ADORA1ADORA2AALOX15HSD17B10KDM4E
SCHEMBL31311334 0.78 MPL (0.47) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL31311151 0.78 ALDH1A1 (0.62) MPLADORA1ADORA2AALOX15HSD17B10
SCHEMBL25695223 0.78 ALDH1A1 (0.62) MPLADORA1ADORA2AALOX15HSD17B10

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-4731206-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2026-04-29 EP disclosed
WO-2024264032-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS INC. (US) 2024-12-26 WO disclosed