SCHEMBL28111741

SCHEMBL28111741

CC(C)c1cc(Cl)nnc1C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GLRA1 P23415 1/20 0.35
CNR2 P34972 15/20 0.35
LMNA P02545 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL22647296 0.74 SYK (0.37) SYK
SCHEMBL29828520 0.74 SYK (0.37) SYK
SCHEMBL1189830 0.71 TDP1 (0.44) GABRA1GABRB1LMNA
SCHEMBL29404221 0.71 TDP1 (0.44) GABRA1GABRB1LMNA
SCHEMBL15687628 0.68 TDP1 (0.41) GABRA1GABRB1LMNA
SCHEMBL27823875 0.67 JUN (0.33) LMNA
SCHEMBL28111753 0.67 GABRA1 (0.35) GABRA1GABRB1GLRA1CNR2LMNA
SCHEMBL2153503 0.66 GLRA1 (0.50) GABRA1GABRB1GLRA1LMNAFABP3
SCHEMBL4649720 0.66 CNR2 (0.37) GABRA1GABRB1CNR2
SCHEMBL4649771 0.66 GABRA1 (0.40) GABRA1GABRB1CNR2LMNAFABP3

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-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed