SCHEMBL7952036

SCHEMBL7952036

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 7/20 0.43
HPGD P15428 6/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNQ4 P56696 1/20 0.41
KCNMA1 Q12791 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GFER P55789 1/20 0.40
TACR3 P29371 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 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) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL7952303 0.91 SMN1; SMN2 (0.50) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL5755396 0.89 CYP1A2 (0.50) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL5755896 0.87 SMN1; SMN2 (0.62) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL7954476 0.83 HSP90AA1 (0.44) CYP2C9CYP3A4CYP2C19CYP1A2KCNMA1
SCHEMBL7944037 0.82 LMNA (0.39) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL7950922 0.80 CYP2C9 (0.47) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL5757047 0.78 APLNR (0.45) ALDH1A1HPGDCYP2C9MAPK1TDP1
SCHEMBL7952535 0.76 TNKS (0.43) HTTLMNAALDH1A1CYP2C9KCNQ3
SCHEMBL7944004 0.74 HPGD (0.49) SMN1; SMN2LMNAALDH1A1HPGDCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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