SCHEMBL11224487

SCHEMBL11224487

CCc1cnc(NC(=O)C(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.61
CDK2 P24941 3/20 0.61
CDK5 Q00535 3/20 0.61
FDPS P14324 1/20 0.51
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
ABL1 P00519 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL23213713 0.88 CCNE1 (0.66) CCNE1CDK2CDK5FDPSALDH1A1
SCHEMBL233711 0.83 CDK2 (0.60) CCNE1CDK2CDK5FDPSLMNA
SCHEMBL11225514 0.81 ALDH1A1 (0.58) CCNE1CDK2CDK5FDPSALDH1A1
SCHEMBL19364715 0.79 MEN1 (0.63) CCNE1CDK2CDK5FDPSTSHR
SCHEMBL11919154 0.78 ALDH1A1 (0.70) CCNE1CDK2CDK5FDPSALDH1A1
SCHEMBL5653949 0.78 CCNE1 (0.55) CCNE1CDK2CDK5FDPSALDH1A1
SCHEMBL14476225 0.78 SMN1; SMN2 (0.57) CCNE1CDK2CDK5FDPSALDH1A1
SCHEMBL3040422 0.77 RAB9A (0.57) ALDH1A1LMNANPC1TP53RAB9A
SCHEMBL8834765 0.75 CCNE1 (0.52) CCNE1CDK2CDK5FDPSALDH1A1
SCHEMBL23240244 0.75 CCNE1 (0.64) CCNE1CDK2CDK5ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed