SCHEMBL5835491

SCHEMBL5835491

CC(C)(C)OC(=O)NCCC(=O)Nc1ncc(Br)s1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.58
FPR3 P25089 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPK10 P53779 1/20 0.57
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
SETD1B Q9UPS6 1/20 0.47
GAA P10253 1/20 0.42
FFAR2 O15552 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL13039 0.83 FPR3 (0.54) FPR2FPR3SMN1; SMN2MAPK10CCNE1
SCHEMBL31203335 0.76 HDAC6 (0.68) FPR2FPR3
SCHEMBL5835735 0.76 SMN1; SMN2 (0.83) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL28830687 0.76 FPR3 (0.47) FPR2FPR3SMN1; SMN2MAPK10CCNE1
SCHEMBL28523289 0.75 LMNA (0.65) SMN1; SMN2CA1CA2
SCHEMBL27739667 0.75 FPR3 (0.47) FPR2FPR3SMN1; SMN2MAPK10CCNE1
SCHEMBL2683840 0.74 FPR2 (1.00) FPR2FPR3
SCHEMBL5835100 0.74 SMN1; SMN2 (0.70) FPR2FPR3SMN1; SMN2MAPK10CCNE1
SCHEMBL3870395 0.74 FPR3 (0.48) FPR2FPR3KDM4E
SCHEMBL4167491 0.73 CA1 (0.46) FPR2FPR3KDM4EPOLBCA1

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