SCHEMBL5680451

SCHEMBL5680451

O=C(O)NCc1cnc(NC(=O)C(F)(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK5 Q00535 2/20 0.39
NPC1 O15118 4/20 0.38
LMNA P02545 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
SCD O00767 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
KMT2A Q03164 3/20 0.38
RELA Q04206 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
ABL1 P00519 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL5653356 0.86 CCNE1 (0.39) CCNE1CDK2CDK5NPC1LMNA
SCHEMBL5653949 0.81 CCNE1 (0.55) CCNE1CDK2CDK5NPC1LMNA
SCHEMBL10864137 0.81 FFAR2 (0.40) CCNE1CDK2CDK5NPC1LMNA
SCHEMBL10864376 0.80 PSEN1 (0.36) CCNE1CDK2CDK5NPC1LMNA
SCHEMBL21229046 0.77 SMN1; SMN2 (0.43) CCNE1CDK2CDK5ALDH1A1TSHR
SCHEMBL5652094 0.75 RAB9A (0.54) NPC1LMNARAB9ATP53SMN1; SMN2
SCHEMBL5653937 0.75 CCNE1 (0.38) CCNE1CDK2CDK5NPC1LMNA
SCHEMBL2652269 0.73 FFAR2 (0.57) CCNE1CDK2CDK5NPC1LMNA
SCHEMBL21229056 0.73 NAMPT (0.38) TSHRSMN1; SMN2MAPK1
SCHEMBL2650712 0.72 SMN1; SMN2 (0.54) CCNE1CDK2CDK5NPC1LMNA

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
EP-1640369-A1 THIAZOLIMINE COMPOUND AND OXAZOLIMINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-03-29 EP disclosed