SCHEMBL9045778

SCHEMBL9045778

Nc1ncc([S+]([O-])c2cccnc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2E1 P05181 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2C19 P33261 2/20 0.36
LIMK1 P53667 1/20 0.34
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
NOS1 P29475 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PTK2 Q05397 1/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL9047243 0.82 NOS1 (0.34) KDM4ESMN1; SMN2CYP2D6LIMK1NOS1
SCHEMBL9099497 0.77 NOS1 (0.44) SMN1; SMN2NOS1ALDH1A1HPGDALOX15
SCHEMBL9426491 0.77 ADORA3 (0.44) NOS1ALDH1A1HPGDALOX15ADORA3
SCHEMBL9046922 0.75 NOS1 (0.36) NOS1HSP90AA1ALDH1A1HPGDALOX15
SCHEMBL9097930 0.75 CYP2E1 (0.32) SMN1; SMN2CYP2A6CYP3A4CYP2E1CYP2C9
SCHEMBL8940793 0.73 NOS1 (0.34) KDM4ESMN1; SMN2LIMK1PIK3CDPIK3CA
SCHEMBL9427020 0.73 PDPK1 (0.31) LIMK1NOS1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL9098247 0.72 ADORA3 (0.36) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9097435 0.71 KDM4E (0.37) KDM4ESMN1; SMN2CYP3A4CYP2D6HSP90AA1
SCHEMBL11396640 0.70 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2CYP2A6CYP3A4ALDH1A1

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
EP-0412404-B1 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-31 EP disclosed
CN-1027370-C Process for preparing thiazole derivatives FUJISAWA FARMACEUTICAL CO LTD (JP) 1995-01-11 CN disclosed
US-5369107-A Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-29 US disclosed
US-5256675-A Antirheumatic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
CN-1049337-A Thiazole derivative prepares their method, and the medicinal compositions that contains them FUJISAWA PHARMACEUTICAL CO (JP) 1991-02-20 CN disclosed
EP-0412404-A2 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-13 EP disclosed