SCHEMBL7954558

SCHEMBL7954558

COc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2-n2ccnc2)oc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.37
GRM7 Q14831 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CETP P11597 3/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNMA1 Q12791 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
CYP2C9 P11712 1/20 0.34
DDR1 Q08345 1/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.34
NOTUM Q6P988 1/20 0.33
CGAS Q8N884 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL5754006 0.88 IDO1 (0.42) ALDH1A1CYP2C9DDR1SCN9ANOTUM
SCHEMBL7954676 0.84 GRM7 (0.42) GRM7ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL7951068 0.84 ABHD6 (0.42) ABHD6CETPKCNQ3KCNQ2KCNQ4
SCHEMBL7952869 0.83 ABHD6 (0.43) ABHD6KMT2ACETPKCNQ3KCNQ2
SCHEMBL7141017 0.80 ABHD6 (0.43) ABHD6KMT2AKCNQ3KCNQ2KCNQ4
SCHEMBL7950929 0.78 ABHD6 (0.43) ABHD6CETPKCNQ3KCNQ2KCNQ4
SCHEMBL5755870 0.72 NR1H2 (0.41) ABHD6NOTUM
SCHEMBL8073611 0.72 NLRP3 (0.42) NOTUM
SCHEMBL5755297 0.71 IDO1 (0.42) GRM7ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL7212915 0.71 KMT2A (0.39) ABHD6KMT2ACETPMAPTNOTUM

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