SCHEMBL18598762

SCHEMBL18598762

CC(COc1cc(Br)ccn1)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ CHRM2 P08172 3/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ DRD1 P21728 2/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ SCN1A P35498 2/20 0.37
▸ SCN2A Q99250 2/20 0.37
▸ SCN3A Q9NY46 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HTR2C P28335 1/20 0.37

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
SCHEMBL15716829 0.79 GABRA1 (0.38) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL20918638 0.78 GABRP (0.41) LMNATSHRGAASMN1; SMN2
SCHEMBL15728143 0.77 CHRM2 (0.40) KCNA5KCNH2PTGFRSLC6A2SLC6A4
SCHEMBL18598758 0.77 KCNH2 (0.39) KCNA5KCNH2PTGFRSLC6A2SLC6A4
SCHEMBL19782624 0.75 LMNA (0.42) LMNAMEN1GAAKMT2ASMN1; SMN2
SCHEMBL8906066 0.75 TSHR (0.42) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL19782626 0.75 LMNA (0.42) LMNAMEN1GAAKMT2ASMN1; SMN2
SCHEMBL18598770 0.75 CHRNB2 (0.38) KCNH2PTGFRSLC6A2SLC6A4SLC6A3
SCHEMBL13512389 0.73 TSHR (0.46) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2093049 0.73 TSHR (0.46) KCNA5KCNH2SLC6A2SLC6A4SLC6A3

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-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 — — EP disclosed
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