SCHEMBL11040740

SCHEMBL11040740

OCCSc1nc(-c2ccccc2)c(-c2cccnc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
CLK1 P49759 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
ALOX5 P09917 1/20 0.44
ADORA1 P30542 1/20 0.42
HTR7 P34969 1/20 0.41
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
ALPL P05186 1/20 0.38
HPGD P15428 2/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL11043360 0.95 MAPK1 (0.52) MAPK1CLK1HRH3ALOX5ADORA1
SCHEMBL11038375 0.87 HRH3 (0.58) MAPK1HRH3HTR7ALDH1A1NPC1
SCHEMBL11041661 0.85 HRH3 (0.45) CLK1HRH3ALOX5ADORA1HTR7
SCHEMBL11038402 0.81 ALOX5 (0.44) HRH3ALOX5ADORA1CYP2A6ALDH1A1
SCHEMBL7649606 0.80 HRH3 (0.45) CLK1HRH3ALOX5ADORA1HTR7
SCHEMBL11040663 0.80 MEN1 (0.47) HRH3ALOX5ALDH1A1NPC1SMN1; SMN2
SCHEMBL11040063 0.80 ALOX5 (0.45) MAPK1CLK1HRH3ALOX5CYP2A6
SCHEMBL11753751 0.78 HRH3 (0.61) MAPK1HRH3HTR7ALDH1A1SMN1; SMN2
SCHEMBL11040676 0.77 ALOX5 (0.50) HRH3ALOX5ADORA1CYP2A6ALDH1A1
SCHEMBL11039020 0.77 HRH3 (0.45) MAPK1HRH3ADORA1HTR7ALDH1A1

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-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US claimed
EP-0061425-A2 Thiazole derivatives, processes for their preparation, medicaments containing them and their use CIBA-GEIGY AG (CH) 1982-09-29 EP claimed
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0061425-A2 Thiazole derivatives, processes for their preparation, medicaments containing them and their use CIBA-GEIGY AG (CH) 1982-09-29 EP disclosed