SCHEMBL14889488

SCHEMBL14889488

On1ccc2cc(Br)c(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.39
AHR P35869 2/20 0.33
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL31735655 0.77 PRKCI (0.48) CSNK2A1AHRHTR2AHTR2CCYP1A2
SCHEMBL27892510 0.69 HTR2A (0.38) CSNK2A1HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL30645310 0.69 ACHE (0.40)
SCHEMBL21812352 0.68 HSP90AA1 (0.41)
SCHEMBL26474724 0.67 KCNH2 (0.43) CSNK2A1AHR
SCHEMBL19643317 0.66 HTR6 (0.56) CYP3A4
SCHEMBL31748559 0.65 HTR6 (0.47) CYP3A4
SCHEMBL1389495 0.63 CSNK2A1 (0.48) CSNK2A1AHRCYP1A2
SCHEMBL31566431 0.63 CSNK2A1 (0.48) CSNK2A1AHRCYP1A2
SCHEMBL3850787 0.62 AHR (0.58) CSNK2A1AHRCYP3A4

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed