SCHEMBL9718128

SCHEMBL9718128

CCOC(=O)C1CSC(c2cccnc2)N1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ NPEPPS P55786 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9250009 0.83 ALDH1A1 (0.54) NPSR1MAPTKDM4EALDH1A1POLB
SCHEMBL9250005 0.83 ALDH1A1 (0.54) NPSR1MAPTKDM4EALDH1A1POLB
SCHEMBL9717855 0.74 KDM4E (0.67) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL9854093 0.72 POLB (0.46) NPSR1MAPTKDM4EALDH1A1GAA
SCHEMBL29496159 0.71 MAPT (0.56) NPSR1TSHRMAPTKDM4EALDH1A1
SCHEMBL14880628 0.71 MAPT (0.56) NPSR1TSHRMAPTKDM4EALDH1A1
SCHEMBL15805084 0.71 MAPT (0.56) NPSR1TSHRMAPTKDM4EALDH1A1
SCHEMBL14113922 0.71 MAPT (0.56) NPSR1TSHRMAPTKDM4EALDH1A1
SCHEMBL15799419 0.71 MAPT (0.56) NPSR1TSHRMAPTKDM4EALDH1A1
SCHEMBL9853999 0.71 POLB (0.58) KDM4EALDH1A1GAAPOLBTDP1

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-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO disclosed
US-5149704-A Pyridyl- or thiazolidineaminesor ureas ABBOTT LABORATORIES (US) 1992-09-22 — — US disclosed
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