SCHEMBL2852067

SCHEMBL2852067

CS(=O)(=O)c1cccc(NCc2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.51
GRK2 P25098 4/20 0.49
ROCK2 O75116 3/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 2/20 0.47
PTGS2 P35354 1/20 0.47
VNN1 O95497 3/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK1 Q13464 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2854358 0.85 VNN1 (0.63) SMN1; SMN2NAMPTVNN1GAAALDH1A1
SCHEMBL2850048 0.82 LMNA (0.47) GRK2LMNAVNN1GAAALDH1A1
SCHEMBL4983660 0.80 KDR (0.66) NAMPT
SCHEMBL2862664 0.77 MAOA (0.58) PIP4K2CSMN1; SMN2VNN1GAAALDH1A1
SCHEMBL2857028 0.77 INSR (0.49) GAAALDH1A1MAPTHSD17B10
SCHEMBL3715900 0.76 CA12 (0.46) GRK2LMNASMN1; SMN2GAAALDH1A1
SCHEMBL632566 0.75 ADRA1A (0.59)
SCHEMBL18893560 0.73 CA1 (0.43) GRK2LMNASMN1; SMN2PTGS2ALDH1A1
SCHEMBL5998792 0.73 FLT1 (0.55) GRK2GAAALDH1A1KDM4EPOLB
SCHEMBL6000282 0.73 ROCK2 (0.60) GRK2ROCK2SMN1; SMN2NAMPTGAA

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed