SCHEMBL7952869

SCHEMBL7952869

COc1ccc(Cl)cc1Cn1nc(-c2cc(C(F)(F)F)ccc2Cl)oc1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
MAPT P10636 2/20 0.41
NOTUM Q6P988 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNMA1 Q12791 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
CYP2C9 P11712 1/20 0.37
PDE2A O00408 2/20 0.37
CETP P11597 2/20 0.36
AGPAT2 O15120 1/20 0.36
PTGER1 P34995 1/20 0.36
CTSA P10619 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7951068 0.90 ABHD6 (0.42) ABHD6MAPTNOTUMKCNQ3KCNQ2
SCHEMBL7141017 0.87 ABHD6 (0.43) ABHD6MAPTNOTUMKCNQ3KCNQ2
SCHEMBL7950929 0.85 ABHD6 (0.43) ABHD6MAPTNOTUMKCNQ3KCNQ2
SCHEMBL5753214 0.85 NOTUM (0.41) ABHD6NOTUMCYP2C9PDE2AAGPAT2
SCHEMBL7954558 0.83 ABHD6 (0.37) ABHD6MAPTNOTUMKCNQ3KCNQ2
SCHEMBL5755870 0.79 NR1H2 (0.41) ABHD6NOTUM
SCHEMBL8073611 0.78 NLRP3 (0.42) NOTUMPTGER1
SCHEMBL7212915 0.77 KMT2A (0.39) ABHD6MAPTNOTUMCETPPTGER1
SCHEMBL7213528 0.77 KMT2A (0.40) ABHD6MAPTNOTUMCETPPTGER1
SCHEMBL7214134 0.76 KMT2A (0.38) ABHD6MAPTNOTUMCETPPTGER1

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