SCHEMBL5267963

SCHEMBL5267963

CC(C)S(=O)(=O)Nc1c[nH]nc1C(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CCNA1 P78396 1/20 0.42
GRIA4 P48058 2/20 0.41
GRIA2 P42262 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 3/20 0.41
ATR Q13535 2/20 0.40
ATM Q13315 2/20 0.40
PRKDC P78527 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CDK14 O94921 3/20 0.39
CCNY Q8ND76 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BCAT2 O15382 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5269316 0.86 CSNK2A1 (0.52) CCNA2CDK2FLT3CCNA1CSNK2A1
SCHEMBL5270764 0.82 KMT2A (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL5265233 0.82 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1KMT2ATP53
SCHEMBL5269732 0.81 SMN1; SMN2 (0.40) MLKLSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13816814 0.80 FLT3 (0.49) CCNA2CDK2FLT3CCNA1ATR
SCHEMBL5268210 0.80 SMN1; SMN2 (0.54) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5265937 0.79 CCNE2 (0.45) CDK2MAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL5271610 0.79 MEN1 (0.57) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5267186 0.79 NAPRT (0.51) CCNA2CDK2FLT3CCNA1MAPT
SCHEMBL5267179 0.78 KMT2A (0.50) MAPTATRSMN1; SMN2ALDH1A1KMT2A

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-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed