SCHEMBL28005249

SCHEMBL28005249

C1=CC2=CC=C1C2.O=C(O)c1ncc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
SNCA P37840 1/20 0.32
DAO P14920 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1674175 0.84
SCHEMBL1808824 0.68
SCHEMBL1386669 0.66
Acetic Acid SCHEMBL20875830 0.65 FFAR3 (0.39) ALDH1A1
SCHEMBL128452 0.64
SCHEMBL12294975 0.63 GSK3B (0.47) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL13737452 0.63 KDM4E (0.36) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL26672257 0.63
SCHEMBL25439036 0.62 SMN1; SMN2 (0.36) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL15881048 0.62 CCNE1 (0.35) MAPK10SMN1; SMN2CCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104603118-B Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators of the orphan nuclear receptor ROR γ 菲尼克斯药品股份公司 2017-10-03 CN disclosed
CN-107007597-A It is used as the thiazole of orphan nuclear receptor ROR γ instrumentalities through formamide or sulfonamide substitutions and the pharmaceutical applications of related derivatives 菲尼克斯药品股份公司 2017-08-04 CN disclosed
CN-104603118-A Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators of the orphan nuclear receptor ROR γ PHENEX PHARMACEUTICALS AG 2015-05-06 CN disclosed