SCHEMBL27776342

SCHEMBL27776342

CC(C)c1cc(C(=O)Nc2nc(CC(=O)O)c(Cl)s2)n(Cc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.42
P2RX7 Q99572 4/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
FSCN1 Q16658 1/20 0.38
GRM4 Q14833 1/20 0.37
PPARG P37231 1/20 0.37
CACNA1H O95180 4/20 0.35
CACNA1G O43497 3/20 0.35
CACNA1I Q9P0X4 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27776167 0.93 GCK (0.42) GCKP2RX7PTGDR2CACNA1HCACNA1G
SCHEMBL27797061 0.90 GCK (0.42) GCKP2RX7PTGDR2CACNA1HCACNA1G
SCHEMBL2662206 0.89 GCK (0.42) GCKP2RX7PTGDR2FSCN1GRM4
SCHEMBL27796881 0.87 P2RX7 (0.39) P2RX7FSCN1GRM4PPARG
SCHEMBL2662044 0.87 GCK (0.41) GCKPTGDR2FSCN1GRM4CACNA1H
SCHEMBL3748346 0.86 GCK (0.41) GCKP2RX7PTGDR2FSCN1CACNA1H
SCHEMBL27776182 0.86 GCK (0.42) GCKPTGDR2GRM4SMN1; SMN2
SCHEMBL2659660 0.85 GCK (0.37) GCKPTGDR2FSCN1PPARG
SCHEMBL3741556 0.84 GCK (0.45) GCKPTGDR2FSCN1CACNA1H
SCHEMBL2661611 0.84 GCK (0.39) GCKPTGDR2SMN1; SMN2

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
CN-101679365-A As the new pyrrole-2-carboxamides derivatives of glucokinase activators, their manufacture method and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE L 2010-03-24 CN claimed
CN-101679365-A As the new pyrrole-2-carboxamides derivatives of glucokinase activators, their manufacture method and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE L 2010-03-24 CN disclosed