SCHEMBL20385355

SCHEMBL20385355

Brc1ccc2ncn(C(Cc3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLP1R P43220 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
FABP4 P15090 1/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL20385441 0.80 HPGD (0.46) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL20385245 0.75 BRD4 (0.40) HDAC8MEN1HPGDKMT2AHSD17B10
SCHEMBL15826415 0.75 GLP1R (0.47) MEN1HPGDKMT2AHSD17B10GLP1R
SCHEMBL20385368 0.75 MEN1 (0.44) MEN1HPGDKMT2AHSD17B10GLP1R
SCHEMBL15333219 0.72 CYP11B1 (0.66) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL19836338 0.70 GLP1R (0.53) MEN1HPGDKMT2AHSD17B10GLP1R
SCHEMBL29734901 0.70 GLP1R (0.47) MEN1HPGDKMT2AHSD17B10GLP1R
SCHEMBL29612495 0.70 GLP1R (0.53) MEN1HPGDKMT2AHSD17B10GLP1R
SCHEMBL18009808 0.70 GLP1R (0.47) MEN1HPGDKMT2AHSD17B10GLP1R
SCHEMBL12421824 0.69 LCK (0.45) MEN1HPGDKMT2AHSD17B10CYP17A1

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