SCHEMBL191747

SCHEMBL191747

COC(=O)c1ccc(Cl)c(Oc2ccnc(Nc3nc(C)cs3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
GCK P35557 8/20 0.42
SCD O00767 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL191022 0.92 GCK (0.44) GRM5GCKSCDTRPV4SMARCA2
SCHEMBL12305664 0.91 GAA (0.48) GRM5GCKSCDTRPV4SMARCA2
Hydrochloric Acid SCHEMBL190606 0.90 GAA (0.47) GRM5GCKSCDTRPV4SMARCA2
SCHEMBL190070 0.84 GCK (0.58) GRM5GCKNPC1RAB9A
SCHEMBL2740569 0.83 GRM5 (0.41) GRM5GCKSCD
Hydrochloric Acid SCHEMBL190882 0.83 GRM5 (0.41) GRM5GCKSCD
Hydrochloric Acid SCHEMBL192190 0.83 GRM5 (0.41) GRM5GCKSCD
SCHEMBL190444 0.82 MAPT (0.48) GRM5TRPV4SMARCA2SMARCA4GAA
SCHEMBL190404 0.82 GCK (0.46) GRM5GCKTRPV4GAANPC1
SCHEMBL191828 0.81 GCK (0.54) GRM5GCKSCDTRPV4GAA

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-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed