SCHEMBL5756713

SCHEMBL5756713

O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)c(-n2cc[nH]c2=S)cc1O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 2/20 0.32
TRAP1 Q12931 1/20 0.31
DBH P09172 1/20 0.31
MARS1 P56192 1/20 0.30

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
SCHEMBL5756172 0.92 KMT2A (0.36) KMT2ANOTUMALDH1A1GAAMARS1
SCHEMBL7954648 0.88 GAA (0.38) KMT2AL3MBTL1NOTUMALDH1A1TDP1
SCHEMBL7950885 0.79 MAPT (0.36) KMT2ANOTUMTDP1GAA
SCHEMBL5753883 0.79 KMT2A (0.41) KMT2ANOTUMALDH1A1GAATRAP1
SCHEMBL5756716 0.78 KMT2A (0.35) KMT2ANOTUMGAA
SCHEMBL5752911 0.76 KMT2A (0.41) KMT2ANOTUMALDH1A1GAAMARS1
SCHEMBL29572389 0.76 KMT2A (0.41) KMT2ANOTUMALDH1A1GAAMARS1
SCHEMBL5756424 0.72 KMT2A (0.36) KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL7950741 0.70 TRPV1 (0.41) KMT2AALDH1A1
SCHEMBL5802067 0.69 POLB (0.45) KMT2AL3MBTL1ALDH1A1GAA

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 6 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
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