SCHEMBL28030148

SCHEMBL28030148

N#CCC(O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.43
ADRB1 P08588 3/20 0.43
ADRB2 P07550 2/20 0.43
SLC2A1 P11166 2/20 0.43
IDO1 P14902 2/20 0.42
LMNA P02545 1/20 0.41
ACP3 P15309 1/20 0.40
PNP P00491 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8628368 0.81 PNP (0.41) LMNAACP3PNPMEN1KMT2A
SCHEMBL29818916 0.80 HIF1A (0.54) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL2150979 0.80 CPN1 (0.44) ADRB3ADRB1ADRB2IDO1
SCHEMBL17735447 0.80 HIF1A (0.54) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL16032729 0.80 CPN1 (0.44) ADRB3ADRB1ADRB2IDO1
SCHEMBL2151108 0.80 HIF1A (0.54) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL2879198 0.79 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL767795 0.79 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL1154749 0.79 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL21848098 0.79 PNP (0.42) ACP3PNP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105992767-A Wnt pathway modulators 新加坡科技研究局 2016-10-05 CN disclosed
CN-103429593-B Imidazopyrazines HOFFMAN-LA ROCHE LTD. (CH) 2015-09-09 CN disclosed