SCHEMBL14740807

SCHEMBL14740807

Clc1ccc(Cl)c(-c2nc3ccccn3c2C2=NN=C[N]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
NR1I3 Q14994 11/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1I2 O75469 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL14740339 0.74 DPP4 (0.46) DPP4NR1I3KDM4EPOLBHSD17B10
SCHEMBL14740051 0.73 NR1I3 (0.43) DPP4NR1I3KDM4EALDH1A1HPGD
SCHEMBL14740209 0.73 DPP4 (0.43) DPP4NR1I3KDM4EALDH1A1HPGD
SCHEMBL14739603 0.73 NR1I3 (0.42) DPP4NR1I3KDM4EALDH1A1HPGD
SCHEMBL14739456 0.72 NR1I3 (0.52) DPP4NR1I3NR1I2
SCHEMBL14740348 0.72 ALDH1A1 (0.53) DPP4NR1I3KDM4EALDH1A1HPGD
SCHEMBL14739346 0.71 NR1I3 (0.43) DPP4NR1I3KDM4EALDH1A1HPGD
SCHEMBL14740266 0.71 DPP4 (0.42) DPP4NR1I3KDM4EALDH1A1HPGD
SCHEMBL14740335 0.71 LMNA (0.46) DPP4NR1I3KDM4EALDH1A1POLB
SCHEMBL14740387 0.71 DPP4 (0.42) DPP4NR1I3KDM4EALDH1A1HPGD

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
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed