SCHEMBL27907618

SCHEMBL27907618

Cn1nnc(-c2ccccc2-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.62
PDK2 Q15119 1/20 0.47
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16706895 0.86 ABCG2 (0.47) ABCG2PDK2AGTR1AGTR2PPARA
SCHEMBL344042 0.84 RAB9A (0.53) PPARANPC1RAB9ANFKB1NFKB2
SCHEMBL20767128 0.81 ABCG2 (0.43) ABCG2PDK2AGTR1AGTR2PPARA
SCHEMBL13846109 0.79 PDK2 (0.48) ABCG2PDK2NPC1RAB9ANFKB1
SCHEMBL13892312 0.79 ABCG2 (0.58) ABCG2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2316723 0.79 NPC1 (0.52) PPARANPC1RAB9ANFKB1NFKB2
SCHEMBL16706894 0.78 AGTR1 (0.43) ABCG2PDK2AGTR1AGTR2NPC1
SCHEMBL2647877 0.78 PDK2 (0.50) PDK2SMN1; SMN2GRM5
SCHEMBL8212790 0.76 ACLY (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13846219 0.75 NPSR1 (0.58) PDK2NPC1RAB9ASMN1; SMN2GRM5

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
CN-103179976-A Glucagon superfamily peptides exhibiting g protein-coupled receptor activity MARCADIA BIOTECH INC 2013-06-26 CN disclosed