SCHEMBL5835796

SCHEMBL5835796

CC(C)c1cnc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
ACE P12821 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
DHODH Q02127 1/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
TP53 P04637 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL27573954 1.00 MAPT (0.52) MAPTALDH1A1PKMHTTACE
SCHEMBL27550543 0.82 CDK2 (0.63) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL5835803 0.82 CDK2 (0.63) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL5835623 0.81 MAPT (0.74) MAPTALDH1A1PKMHTTSMN1; SMN2
SCHEMBL5835715 0.79 KMT2A (0.64) MAPTALDH1A1PKMHTTSMN1; SMN2
SCHEMBL6957936 0.79 MMP3 (0.53) MAPTACESMN1; SMN2MMP1MMP3
SCHEMBL6961609 0.79 MMP3 (0.53) MAPTACESMN1; SMN2MMP1MMP3
SCHEMBL19746141 0.78 HDAC8 (0.66) MAPTACESMN1; SMN2HDAC8HDAC3
SCHEMBL5835397 0.78 KMT2A (0.60) MAPTALDH1A1PKMHTTSMN1; SMN2
SCHEMBL3787557 0.77 MMP9 (0.72) ACEMMP9MMP8MMP1MMP3

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 4 patents. 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 claimed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP claimed
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