SCHEMBL5757320

SCHEMBL5757320

COc1cc(NC(C)=O)c(Cl)cc1CBr

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
AGER Q15109 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
PGK1 P00558 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL10718171 0.87 AGER (0.48) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL9730411 0.81 LMNA (0.61) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL8970733 0.80 AGER (0.43) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL133355 0.79 AGER (0.58) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL8971117 0.78 AGER (0.47) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL14490855 0.77 AGER (0.60) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL11689895 0.77 GAA (0.53) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL8971582 0.76 AGER (0.45) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL130152 0.76 HTT (0.72) HTTAGERALDH1A1KMT2AMEN1
SCHEMBL6962669 0.76 AGER (0.58) HTTAGERALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN disclosed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed