SCHEMBL5757047

SCHEMBL5757047

COc1ccc(Cl)cc1-n1c(N)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.45
CACNA1D Q01668 1/20 0.45
NR1I2 O75469 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL5753619 0.82 TMPRSS4 (0.38) HSD11B1MAPTCYP2C9
SCHEMBL7952036 0.78 SMN1; SMN2 (0.47) NR1I2ALDH1A1HPGDKDM4EMAPK1
SCHEMBL5755896 0.78 SMN1; SMN2 (0.62) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL7952751 0.76 TUBB4A (0.43) NR1I2ALDH1A1HPGDKDM4EHSD11B1
SCHEMBL7952738 0.72 IDO1 (0.39) NR1I2ALDH1A1CYP2C9
SCHEMBL5753851 0.69 MAPT (0.49) NR1I2HPGDKDM4ETDP1MAPT
SCHEMBL7952535 0.69 TNKS (0.43) NR1I2ALDH1A1MAPTCYP2C9
SCHEMBL5757289 0.69 SMN1; SMN2 (0.47) ALDH1A1HPGDKDM4EMAPK1TDP1
SCHEMBL7952303 0.68 SMN1; SMN2 (0.50) CACNA1DNR1I2ALDH1A1HPGDKDM4E
SCHEMBL7944037 0.67 LMNA (0.39) ALDH1A1HPGDKDM4EMAPK1TDP1

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