SCHEMBL20385441

SCHEMBL20385441

Brc1ccc2ncn(C(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLP1R P43220 1/20 0.43
FABP4 P15090 1/20 0.40
MAPK1 P28482 2/20 0.39
NPM1 P06748 1/20 0.39
ALK Q9UM73 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
CYP19A1 P11511 3/20 0.36
P2RX7 Q99572 1/20 0.36
GAA P10253 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HTT P42858 2/20 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
SCHEMBL20259965 0.83 HPGD (0.47) HPGDMEN1KMT2AHSD17B10MAPK1
SCHEMBL20385368 0.81 MEN1 (0.44) HPGDMEN1KMT2AHSD17B10GLP1R
SCHEMBL15826415 0.81 GLP1R (0.47) HPGDMEN1KMT2AHSD17B10GLP1R
SCHEMBL20259966 0.81 MEN1 (0.50) HPGDMEN1KMT2AHSD17B10MAPK1
SCHEMBL20385274 0.81 GLP1R (0.41) HPGDMEN1KMT2AHSD17B10GLP1R
SCHEMBL20385355 0.80 HDAC8 (0.43) HPGDMEN1KMT2AHSD17B10GLP1R
SCHEMBL5865198 0.80 MEN1 (0.69) HPGDMEN1KMT2AHSD17B10MAPK1
SCHEMBL12788834 0.80 PTGS2 (0.46) MEN1KMT2ALMNAMAPTPTGS2
SCHEMBL29734901 0.77 GLP1R (0.47) HPGDMEN1KMT2AHSD17B10GLP1R
SCHEMBL19836338 0.77 GLP1R (0.53) HPGDMEN1KMT2AHSD17B10GLP1R

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-2018130227-A1 AROMATIC RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 山东罗欣药业集团股份有限公司 2018-07-19 WO disclosed