SCHEMBL5754958

SCHEMBL5754958

O=c1oc(-c2ccc(F)c(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
NOTUM Q6P988 5/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX1 P51575 1/20 0.34
RORC P51449 1/20 0.34
IL2 P60568 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL5752911 0.86 KMT2A (0.41) NR1H2NR1H3NOTUMCYP1A2GAA
SCHEMBL29572389 0.86 KMT2A (0.41) NR1H2NR1H3NOTUMCYP1A2GAA
SCHEMBL5755870 0.85 NR1H2 (0.41) NR1H2NR1H3NOTUMGAA
SCHEMBL7957026 0.84 P2RX1 (0.46) NOTUMKMT2AP2RX1
SCHEMBL5755297 0.84 IDO1 (0.42) NR1H2NR1H3NOTUMCYP1A2KMT2A
SCHEMBL5756766 0.81 HIF1A (0.40) NOTUMGAAKMT2A
SCHEMBL5756140 0.81 TMPRSS4 (0.40) NR1H2NR1H3NOTUMCYP1A2P2RX1
SCHEMBL5753214 0.78 NOTUM (0.41) NOTUMCYP1A2KMT2AP2RX1RORC
SCHEMBL5753916 0.74 P2RX1 (0.40) NR1H2NR1H3CYP1A2KMT2AP2RX1
SCHEMBL5753883 0.73 KMT2A (0.41) NOTUMCYP1A2GAAKMT2A

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 10 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 claimed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP claimed
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 claimed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO claimed
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