SCHEMBL19453394

SCHEMBL19453394

COc1cc(/C=C2\Nc3ccccc3C2=O)c(Br)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 6/20 0.59
▸ TYR P14679 2/20 0.56
▸ SIRT1 Q96EB6 1/20 0.51
▸ MAPT P10636 7/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HTT P42858 1/20 0.46
▸ DHFR P00374 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALPL P05186 1/20 0.43

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
SCHEMBL10848654 0.84 TYR (0.57) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL10849192 0.80 TYR (0.56) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5695419 0.80 MAPT (0.64) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5695458 0.80 MAPT (0.64) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23094590 0.74 CGAS (1.00) CGASTYRSIRT1MAPTKMT2A
SCHEMBL22625308 0.74 MAPT (0.61) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5695444 0.74 TYR (0.74) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5695416 0.74 TYR (0.74) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL153106 0.74 MDM2 (0.54) TYRMAPTKMT2AMEN1ALDH1A1
SCHEMBL153105 0.74 MDM2 (0.54) TYRMAPTKMT2AMEN1ALDH1A1

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-2017176812-A1 cGAS ANTAGONIST COMPOUNDS IMMUNE SENSOR, LLC (US) 2017-10-12 — — WO disclosed
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