SCHEMBL5835882

SCHEMBL5835882

COc1cc(CC(=O)Nc2ncc(Br)s2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.59
CDK2 P24941 1/20 0.59
CDK5 Q00535 1/20 0.59
LMNA P02545 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
MAPK10 P53779 3/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 2/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GLS O94925 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.50
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5836578 0.86 CCNE1 (0.67) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5835475 0.84 SMN1; SMN2 (0.63) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5835776 0.82 CCNE1 (0.70) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5835614 0.81 CCNE1 (0.67) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL18456670 0.80 AURKB (0.52) CDK2MAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL5836854 0.79 CCNE1 (0.77) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5835387 0.77 CCNE1 (0.74) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5836044 0.75 LMNA (0.67) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5835922 0.75 CCNE1 (1.00) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL5835509 0.75 SMN1; SMN2 (0.61) CCNE1CDK2CDK5LMNAALDH1A1

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
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed