SCHEMBL790036

SCHEMBL790036

Clc1cc2ccc(I)cc2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.41
AHR P35869 2/20 0.35
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
IDO1 P14902 1/20 0.32
NOS1 P29475 1/20 0.31

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
Ethylamine SCHEMBL790827 0.88 IDO1 (0.36) CSNK2A1IDO1
SCHEMBL14893542 0.75
SCHEMBL29652209 0.75
SCHEMBL491119 0.75
SCHEMBL1389495 0.75 CSNK2A1 (0.48) CSNK2A1AHR
SCHEMBL31566431 0.75 CSNK2A1 (0.48) CSNK2A1AHR
SCHEMBL29652220 0.75
SCHEMBL9422180 0.74 NOS1 (0.41) NOS1
SCHEMBL19230462 0.74 NOS1 (0.41) NOS1
SCHEMBL29644321 0.74 NOS1 (0.44) NOS1

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed