SCHEMBL13822801

SCHEMBL13822801

CCOC(=O)Oc1csc(Nc2ccc(Br)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
RAB9A P51151 10/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL2657168 0.83 CYP1A2 (0.54) TRPV4RAB9AMAPTNPC1GAA
SCHEMBL2657744 0.76 MAPT (0.44) TRPV4RAB9AMAPTNPC1MEN1
SCHEMBL2656650 0.75 GCK (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL1831608 0.74 MAPT (0.40) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL3028524 0.73 MEN1 (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL3043516 0.72 GAA (0.51) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL8986532 0.72 RAB9A (0.59) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL2669599 0.71 CCNK (0.42) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL14742578 0.71 CYP1A2 (0.56) TRPV4RAB9AMAPTNPC1MEN1
SCHEMBL5230966 0.70 SMN1; SMN2 (0.43) RAB9AMAPTNPC1MEN1KMT2A

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-2195312-B1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2012-11-21 EP claimed