SCHEMBL19554262

SCHEMBL19554262

N#Cc1cc(C(=O)O)c(NC(=O)c2ccc3cc(F)ccc3c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.44
DHODH Q02127 1/20 0.44
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNK10 P57789 1/20 0.42
SLC16A3 O15427 1/20 0.42
HDAC1 Q13547 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
GRIK1 P39086 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
PTPN11 Q06124 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
SCHEMBL19554177 0.95 KCNK2 (0.44) KCNK2DHODHKCNQ3KCNQ2KCNE1
SCHEMBL19575809 0.89 KCNK2 (0.42) KCNK2DHODHKCNQ3KCNQ2KCNE1
SCHEMBL19554185 0.89 RAB9A (0.44) KCNK2DHODHSLC16A3MEN1MAPT
SCHEMBL19554123 0.86 KCNK2 (0.50) KCNK2DHODHKCNK10SLC16A3HDAC1
SCHEMBL19554226 0.86 KCNK2 (0.42) KCNK2DHODHKCNQ3KCNQ2KCNE1
SCHEMBL19554219 0.86 AKR1C4 (0.48) MEN1MAPTPKMKMT2ATDP1
SCHEMBL19554178 0.83 NPC1 (0.52) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL19554335 0.82 ALB (0.51) KCNK2DHODHHDAC1MEN1MAPT
SCHEMBL19554330 0.82 KCNK2 (0.46) KCNK2DHODHKCNK10HDAC1MEN1
SCHEMBL19554194 0.80 PDE5A (0.39) KCNK2DHODHSLC16A3NPC1AKR1C2

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed