SCHEMBL5835629

SCHEMBL5835629

CC(C)c1cnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
NPC1 O15118 7/20 0.71
ALDH1A1 P00352 4/20 0.71
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 6/20 0.60
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CCNE1 P24864 3/20 0.56
CDK2 P24941 3/20 0.56
CDK5 Q00535 3/20 0.56
CCNT1 O60563 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56

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
SCHEMBL10016466 0.83 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5836025 0.83 ALDH1A1 (0.68) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5836292 0.79 CCNE1 (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6282337 0.78 CDK2 (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5835908 0.74 CCNE1 (0.53) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5835693 0.74 CCNE1 (0.55) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5835846 0.74 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5835512 0.73 CCNE1 (0.67) ALDH1A1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836595 0.73 ALDH1A1 (0.70) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11330935 0.72 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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
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