SCHEMBL28386309

SCHEMBL28386309

Oc1ccc2nsnc2c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 5/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
CASP1 P29466 2/20 0.35
PPARG P37231 1/20 0.35
CASP7 P55210 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
SCHEMBL1326216 0.78 MAPT (0.44) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL20266316 0.78 MAPT (0.44) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL15032485 0.75 MAPT (0.60) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL17582666 0.75 MAPT (0.50) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL11673614 0.74 MAPT (0.56) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL13526111 0.71 ACHE (0.36) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL30274237 0.71 GAA (0.38) MAPTMEN1KMT2AKDM4EHSD17B10
Bicarbonate SCHEMBL29098908 0.70 GAA (0.38) MAPTMEN1KMT2AKDM4EHSD17B10
Ammonia Solution, Strong SCHEMBL11086067 0.68 MAPT (0.55) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL18561732 0.68 NQO2 (0.36) MAPTMEN1KMT2AALDH1A1HPGD

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
CN-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 CN disclosed