SCHEMBL28043691

SCHEMBL28043691

Cc1csc(=Nc2ccccc2)n1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA12 O43570 7/20 0.48
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 7/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
BCL2A1 Q16548 2/20 0.45
PTGS2 P35354 5/20 0.44
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4616637 0.81 CYP1A2 (0.56) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL4616638 0.81 CYP1A2 (0.56) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL23728038 0.77 CYP1A2 (0.51) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL23728036 0.77 CYP1A2 (0.51) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL5280714 0.76 CYP1A2 (0.50) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL3969682 0.75 MAPK1 (0.61) L3MBTL1MAPK1HTTLMNACA12
SCHEMBL3969684 0.75 MAPK1 (0.61) L3MBTL1MAPK1HTTLMNACA12
SCHEMBL5708484 0.73 LMNA (0.48) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL23749759 0.72 CYP1A2 (0.46) L3MBTL1MAPK1HTTLMNACYP1A2
SCHEMBL5708470 0.72 LMNA (0.47) L3MBTL1HTTLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130923-A Preparation method of polysubstituted 2-iminothiazole compound UNIV ZHEJIANG TECHNOLOGY 2015-12-09 CN disclosed