SCHEMBL10714975

SCHEMBL10714975

COC(=O)c1c(C)csc1N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
MAPT P10636 4/20 0.40
MAPK8 P45983 5/20 0.39
MAPK9 P45984 5/20 0.39
MAPK10 P53779 5/20 0.39
POLB P06746 2/20 0.37
CYP3A4 P08684 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL9398168 0.87 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTMAPK8
SCHEMBL3633337 0.86 ADRA2A (0.43) ADRA2AADRA2BADRA2CMAPTMAPK8
SCHEMBL10713730 0.84 ADRA2A (0.63) ADRA2AADRA2BADRA2CMAPTPOLB
SCHEMBL10713178 0.81 MAPK8 (0.42) ADRA2AADRA2BADRA2CMAPTMAPK8
SCHEMBL10715043 0.80 MAPT (0.34) MAPTPOLBALDH1A1HSD17B10TSHR
SCHEMBL13118448 0.75 ADRA2A (0.43) ADRA2AADRA2BADRA2CMAPTMAPK8
SCHEMBL7849672 0.74 POLB (0.46) MAPTPOLBCYP3A4ALDH1A1HPGD
SCHEMBL13861476 0.73 MAPT (0.61) MAPTMAPK8MAPK9MAPK10POLB
SCHEMBL10710821 0.72 CNR2 (0.42) MAPTMAPK10ALDH1A1HSD17B10TSHR
SCHEMBL7232358 0.71 CYP3A4 (0.47) POLBCYP3A4ACHEALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3940246-A Sublimation transfer and isocyanate fixation of amino- or hydroxy-containing dyestuffs and transfer sheets therefor CIBA-GEIGY AG (CH) 1976-02-24 US claimed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 EP disclosed
US-4078886-A Sublimation transfer and diisocyanate fixation of amino- or hydroxy-containing anthraquinone dyestuffs and transfer sheets thereof CIBA-GEIGY AG (CH) 1978-03-14 US disclosed
US-3958933-A Process for the manufacture of fast dyeings on synthetic hydrophobic textile material CIBA-GEIGY CORPORATION (US) 1976-06-01 US disclosed
US-3940246-A Sublimation transfer and isocyanate fixation of amino- or hydroxy-containing dyestuffs and transfer sheets therefor CIBA-GEIGY AG (CH) 1976-02-24 US disclosed