SCHEMBL5755396

SCHEMBL5755396

COc1ccc(Cl)cc1-n1c(-c2cccc(C(F)(F)F)c2)n[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
LMNA P02545 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NLRP3 Q96P20 1/20 0.44
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IKBKB O14920 1/20 0.41
GFER P55789 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KCNQ3 O43525 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
SCHEMBL5757289 0.91 SMN1; SMN2 (0.47) CYP1A2LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL7952036 0.89 SMN1; SMN2 (0.47) CYP1A2LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL5756223 0.84 CYP1A2 (0.48) CYP1A2LMNASMN1; SMN2HTTKDM4E
SCHEMBL7952303 0.82 SMN1; SMN2 (0.50) CYP1A2LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL7943970 0.78 GRIN1 (0.41) CYP1A2LMNAHPGDSMN1; SMN2HTT
SCHEMBL5755896 0.76 SMN1; SMN2 (0.62) LMNAHPGDSMN1; SMN2L3MBTL1GAA
SCHEMBL7944037 0.76 LMNA (0.39) CYP1A2LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL5755422 0.74 HSP90AA1 (0.41) CYP1A2LMNASMN1; SMN2HTTKDM4E
SCHEMBL7950922 0.74 CYP2C9 (0.47) CYP1A2LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL7954476 0.72 HSP90AA1 (0.44) CYP1A2CYP2C9CYP3A4CYP2C19KCNMA1

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