SCHEMBL7944037

SCHEMBL7944037

COc1ccc(Cl)cc1-n1c(Cc2ccc(C(F)(F)F)cc2)n[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 2/20 0.39
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 1/20 0.38
PDE5A O76074 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5754911 0.84 HSP90AA1 (0.41) KCNMA1ALDH1A1CYP2C9CYP1A2GAA
SCHEMBL7952036 0.82 SMN1; SMN2 (0.47) LMNAKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL5757289 0.78 SMN1; SMN2 (0.47) LMNAKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL5755396 0.76 CYP1A2 (0.50) LMNAKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL7944004 0.74 HPGD (0.49) LMNAKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL7950922 0.74 CYP2C9 (0.47) LMNAKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL7952303 0.73 SMN1; SMN2 (0.50) LMNAALDH1A1HPGDCYP2C9HIF1A
SCHEMBL5755896 0.72 SMN1; SMN2 (0.62) LMNAALDH1A1HPGDCYP2C9GAA
SCHEMBL9120300 0.71 CYP2C9 (0.57) LMNAKCNQ3KCNQ2KCNQ4KCNMA1
SCHEMBL7944039 0.71 PPARD (0.55)

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 2 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