SCHEMBL5835916

SCHEMBL5835916

CC(C)c1cnc(NC(=O)CC2CCCC2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
GAA P10253 1/20 0.70
CDK2 P24941 8/20 0.56
CCNE1 P24864 7/20 0.56
CDK5 Q00535 6/20 0.56
ALDH1A1 P00352 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
MNAT1 P51948 1/20 0.56
CDK5R1 Q15078 1/20 0.56
EPHX2 P34913 1/20 0.54

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
SCHEMBL5837240 0.99 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AGAACDK2
SCHEMBL5835651 0.95 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGAACDK2
SCHEMBL5836009 0.87 NPC1 (0.61) SMN1; SMN2NPC1RAB9AGAACDK2
SCHEMBL5835894 0.86 NPC1 (0.63) SMN1; SMN2NPC1RAB9AGAACDK2
SCHEMBL5481543 0.82 CCNE1 (0.52) SMN1; SMN2NPC1RAB9AGAACDK2
SCHEMBL13485177 0.80 NPC1 (0.71) SMN1; SMN2NPC1RAB9AGAACDK2
SCHEMBL13436514 0.79 CDK2 (0.67) SMN1; SMN2NPC1RAB9ACDK2CCNE1
SCHEMBL13436490 0.78 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AGAACDK2CCNE1
SCHEMBL13436517 0.77 CDK2 (0.65) SMN1; SMN2NPC1RAB9ACDK2CCNE1
SCHEMBL5835570 0.77 CDK2 (0.65) SMN1; SMN2NPC1RAB9ACDK2CCNE1

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