SCHEMBL12812136

SCHEMBL12812136

C=C(N)C(c1ccccc1)(c1ccccc1)c1ccc(F)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 15/20 0.71
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL14437487 0.83 KCNN4 (1.00) KCNN4KCNE1KCNQ1NPC1RAB9A
SCHEMBL12811867 0.78 KCNN4 (0.88) KCNN4KCNE1KCNQ1NPC1RAB9A
SCHEMBL13427555 0.76 KCNN4 (0.71) KCNN4KCNE1KCNQ1NPC1RAB9A
SCHEMBL13427600 0.71 KCNN4 (0.63) KCNN4KCNE1KCNQ1NPC1RAB9A
SCHEMBL5055356 0.70 KCNN4 (0.67) KCNN4KCNE1KCNQ1NPC1RAB9A
SCHEMBL5052734 0.70 KCNN4 (0.53) KCNN4KCNE1KCNQ1CYP1A2CYP2C9
SCHEMBL16191081 0.67 KCNN4 (0.50) KCNN4NPC1RAB9AVNN1
SCHEMBL5181410 0.64 KCNN4 (0.44) KCNN4CYP1A2
SCHEMBL5180932 0.64 KCNN4 (0.43) KCNN4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL13950934 0.63 KCNN4 (1.00) KCNN4KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034860-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2011-03-24 WO disclosed