SCHEMBL8795501

SCHEMBL8795501

O=S(=O)(NCCCCOc1ccc(-n2cnnn2)cc1)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ATF4 P18848 1/20 0.53
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL8483139 0.89 KDM4E (0.56) KDM4EMAPK1GAAALDH1A1KMT2A
SCHEMBL8485836 0.89 ALDH1A1 (0.55) KDM4EMAPK1GAAALDH1A1KMT2A
SCHEMBL8794686 0.79 CYP2D6 (0.53) GAAKMT2AMEN1
SCHEMBL8795018 0.78 CYP2D6 (0.52) GAAKMT2AMEN1
SCHEMBL8794869 0.75 L3MBTL1 (0.56) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL8488739 0.75 ALDH1A1 (0.50) KDM4EMAPK1ALDH1A1KMT2AMEN1
SCHEMBL8488202 0.74 GAA (0.56) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL8486316 0.73 PPARA (0.52) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL8487175 0.72 MEN1 (0.49) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL8795385 0.71 POLB (0.61) ATF4ALDH1A1KMT2AMEN1MAPT

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-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 — — EP claimed
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