SCHEMBL5753874

SCHEMBL5753874

Oc1ccc(Cl)cc1-n1ccnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
P2RX1 P51575 3/20 0.39
TMPRSS4 Q9NRS4 3/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MARS1 P56192 1/20 0.38
KDR P35968 3/20 0.37
MAPKAPK2 P49137 1/20 0.37
HSD11B1 P28845 1/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
COMT P21964 1/20 0.36
CHRNA7 P36544 1/20 0.35
NQO2 P16083 1/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CYP19A1 P11511 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7952751 0.82 TUBB4A (0.43) IDO1KDM4EALDH1A1KDRHSD11B1
SCHEMBL5756138 0.79 TMPRSS4 (0.45) IDO1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL7944067 0.76 HSP90AA1 (0.46) IDO1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL5753619 0.74 TMPRSS4 (0.38) IDO1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL5754999 0.72 GFER (0.51) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL7954476 0.72 HSP90AA1 (0.44) P2RX1TMPRSS4P2RX4P2RX7MARS1
SCHEMBL29070215 0.71 KDM4E (0.41) KDM4EALDH1A1KDRFLT1FLT4
SCHEMBL7954690 0.71 ALDH1A1 (0.46) P2RX1TMPRSS4P2RX4P2RX7KDM4E
SCHEMBL4563977 0.70 HSD11B1 (0.45) KDM4EALDH1A1MAPKAPK2HSD11B1
SCHEMBL5754955 0.70 COMT (0.44) P2RX1TMPRSS4P2RX4P2RX7MARS1

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 13 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
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US claimed
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN claimed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP 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
CN-1116287-C Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2003-07-30 CN 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