SCHEMBL9452483

SCHEMBL9452483

FC(F)C(F)C=CSc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DDAH1 O94760 1/20 0.44
ADRA2C P18825 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.40
GFER P55789 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9452491 1.00 RAB9A (0.46) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL9452478 1.00 RAB9A (0.46) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL15003936 0.75 DDAH1 (0.53) RAB9AMAPTMAPK1DDAH1ADRA2C
SCHEMBL31293729 0.74 DDAH1 (0.51) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL8383277 0.74 DDAH1 (0.51) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL6941663 0.73 RAB9A (0.62) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL6941664 0.73 RAB9A (0.62) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL361715 0.71 DDAH1 (0.49) RAB9AMAPTMAPK1NPSR1DDAH1
SCHEMBL4188069 0.70 DDAH1 (0.59) RAB9AMAPTMAPK1DDAH1ADRA2C
SCHEMBL28366757 0.70 DDAH1 (0.59) RAB9AMAPTMAPK1NPSR1DDAH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273988-A 2-(3,4,4,-trifluorobutenylmercapto) alkoxy or nitro benzoxazoyl compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US disclosed
EP-0532722-A1 BENZOXAIOLE DERIVATIVES ZENECA LIMITED (GB) 1993-03-24 EP disclosed
WO-1992017463-A1 BENZOXAIOLE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-15 WO disclosed
EP-0507464-A1 Benzoxazole derivatives ZENECA LIMITED (GB) 1992-10-07 EP disclosed