SCHEMBL7693307

SCHEMBL7693307

O=[C]NCCSc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
TLR7 Q9NYK1 2/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
IGF1R P08069 6/20 0.38
ADRB2 P07550 1/20 0.38
CYP2C9 P11712 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL13940133 0.84 MAPT (0.72) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL10133723 0.83 MAPT (0.68) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL9999685 0.80 MAPT (0.64) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL13602573 0.77 MAPT (0.63) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL11934977 0.77 MAPT (0.60) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL18499105 0.76 CYP2C9 (0.63) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL22275078 0.74 IGF1R (0.63) MAPTKMT2AIGF1RGAANPSR1
SCHEMBL7614346 0.74 MAPT (0.57) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL13633918 0.74 MAPT (0.71) MAPTKMT2AMAPK1GAAMEN1
SCHEMBL10073642 0.74 MAPT (0.63) MAPTTLR7KMT2AIGF1RADRB2

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
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 WO claimed
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 WO disclosed