SCHEMBL5835548

SCHEMBL5835548

COc1ccc2c(CC(=O)Nc3ncc(C(C)C)s3)cc(=O)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
LCK P06239 1/20 0.55
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2D6 P10635 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CCNT1 O60563 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 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
SCHEMBL5835765 0.80 GLS (0.60) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5835722 0.77 MTNR1A (0.54) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL5835602 0.77 CDK5 (0.73) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL30050571 0.76 KDM4E (0.70) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL5835984 0.75 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1RAB9ACCNT1CDK1
SCHEMBL22872003 0.75 KDM4E (0.76) LMNAKDM4EALDH1A1HPGDCA12
SCHEMBL5835758 0.74 CCNE1 (0.66) SMN1; SMN2LMNAALDH1A1CCNT1CDK1
SCHEMBL20587849 0.74 MEN1 (1.00) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL10061969 0.73 CA12 (0.68) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18575811 0.73 KDM4E (0.72) MEN1KMT2ALMNAKDM4EALDH1A1

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 6 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
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 disclosed
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 disclosed