SCHEMBL4232192

SCHEMBL4232192

CC(C)Nc1nc(-n2cc(C(=O)NS(C)(=O)=O)cn2)nc(Cl)c1-c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.37
PIM1 P11309 1/20 0.35
CSNK2A1 P68400 1/20 0.35
SCN9A Q15858 7/20 0.34
SCN5A Q14524 5/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN4A P35499 1/20 0.33
SCN2A Q99250 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4232907 0.86 EGLN1 (0.40) EGLN1LDHALDHB
SCHEMBL4231053 0.83 CXCL8 (0.32) SCN9ALMNATSHR
SCHEMBL4231017 0.78 NPY5R (0.38) SCN9ALMNACYP2C19
SCHEMBL4229598 0.76 KDM4E (0.34) LMNAHPGD
SCHEMBL4225596 0.72 KMT2A (0.35) CYP2C19LDHALDHBTSHR
SCHEMBL4219785 0.71 GLP1R (0.42) LMNAHPGDTSHR
SCHEMBL4225599 0.70 MAT2A (0.33) LMNACYP2C19TSHR
SCHEMBL4219852 0.66 LMNA (0.35) SCN9ALMNACYP2C19TSHR
SCHEMBL4225977 0.64 HSP90AA1 (0.45) LMNAHPGD
SCHEMBL4231674 0.63 LMNA (0.39) LMNAHPGDCYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2092824-A1 Heterocyclyl pyrimidines Bayer CropScience AG (DE) 2009-08-26 EP disclosed
EP-2092824-A1 Heterocyclyl pyrimidines Bayer CropScience AG (DE) 2009-08-26 EP disclosed