SCHEMBL5755896

SCHEMBL5755896

COc1ccc(Cl)cc1-n1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1=S

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 9/20 0.59
HPGD P15428 6/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GFER P55789 2/20 0.55
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 1/20 0.55
APOBEC3G Q9HC16 1/20 0.53
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7952036 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL5754999 0.83 GFER (0.51) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL5757289 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL5757047 0.78 APLNR (0.45) ALDH1A1HPGDCYP2C9KDM4EMAPT
SCHEMBL7952303 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL5755396 0.76 CYP1A2 (0.50) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL7952751 0.74 TUBB4A (0.43) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL9119253 0.73 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL7944037 0.72 LMNA (0.39) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL7952738 0.70 IDO1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19

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