SCHEMBL5835965

SCHEMBL5835965

CCCC(=O)Nc1ncc(Cc2ccccc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
TP53 P04637 3/20 0.65
CCNE1 P24864 3/20 0.64
CDK2 P24941 3/20 0.64
CDK5 Q00535 3/20 0.64
SIRT2 Q8IXJ6 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
ALDH1A1 P00352 2/20 0.59

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
SCHEMBL10009245 0.88 SIRT2 (0.65) LMNANPC1RAB9ATP53CCNE1
SCHEMBL3131310 0.85 CCNE1 (0.78) LMNANPC1RAB9ATP53CCNE1
SCHEMBL28155418 0.83 LMNA (0.72) LMNANPC1RAB9ATP53CCNE1
SCHEMBL2753637 0.83 ALDH1A1 (0.74) LMNANPC1RAB9ASIRT2SMN1; SMN2
SCHEMBL10008562 0.81 LMNA (0.71) LMNANPC1RAB9ATP53CCNE1
SCHEMBL10007768 0.81 ABL1 (0.61) LMNANPC1RAB9ATP53CCNE1
SCHEMBL28027577 0.80 LMNA (0.72) LMNANPC1RAB9ATP53CCNE1
SCHEMBL3185786 0.79 LMNA (0.61) LMNANPC1RAB9ATP53CCNE1
SCHEMBL5835925 0.79 ALDH1A1 (0.62) LMNANPC1RAB9ACCNE1CDK2
SCHEMBL10009298 0.79 LMNA (0.55) LMNANPC1RAB9ATP53CCNE1

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-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed