SCHEMBL4718263

SCHEMBL4718263

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
EPHX2 P34913 2/20 0.47
KCNMA1 Q12791 1/20 0.45
GRIK1 P39086 2/20 0.44
MTOR P42345 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
STING1 Q86WV6 1/20 0.42
BAZ1A Q9NRL2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
Emidurdar SCHEMBL30845296 0.92 KCNMA1 (0.54) GPR35KCNMA1GRIK1MAPTRAB9A
Emidurdar SCHEMBL1463101 0.92 KCNMA1 (0.54) GPR35KCNMA1GRIK1MAPTRAB9A
SCHEMBL1463507 0.90 KMT2A (0.45) GRIK1MAPTKMT2ARAB9AMEN1
SCHEMBL1462393 0.89 GRIK1 (0.60) GPR35KCNMA1GRIK1MAPTKMT2A
SCHEMBL1463403 0.86 KDR (0.45) GRIK1MAPTKMT2ARAB9AMEN1
SCHEMBL1463473 0.86 KMT2A (0.46) GPR35MAPTKMT2ARAB9AMEN1
SCHEMBL3577164 0.85 GRIK1 (0.46) GPR35GRIK1MTORBAZ1A
SCHEMBL1463337 0.85 KDR (0.54) MAPTKMT2AMEN1HTTTRPV1
SCHEMBL3576165 0.84 GRIK1 (0.48) EPHX2GRIK1MAPTCA12CA1
SCHEMBL1462366 0.83 ALDH1A1 (0.46) KCNMA1GRIK1KMT2ARAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP claimed
CN-1845726-A Erg channel openers for the treatment of cardiac arrhythmias POSEIDON PHARMACEUTICALS AS (DK) 2006-10-11 CN disclosed