SCHEMBL28837183

SCHEMBL28837183

O=c1[nH]c2nc(F)ccc2cc1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SNCA P37840 1/20 0.38
DAO P14920 3/20 0.36
PARG Q86W56 1/20 0.33
MAPK1 P28482 1/20 0.32
TYMS P04818 3/20 0.31
DDO Q99489 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL29838094 0.79 GRIN2D (0.40) ADORA2AADORA1SNCADAOPARG
SCHEMBL19127026 0.79 KDM4E (0.46) ADORA2AADORA1DAOPARGMAPK1
SCHEMBL23638392 0.79 GRIN2D (0.40) ADORA2AADORA1SNCADAOPARG
SCHEMBL15528142 0.71 DAO (0.65) DAO
SCHEMBL29837979 0.71 ADORA2A (0.46) ADORA2AADORA1DAOMAPK1TYMS
SCHEMBL23638393 0.71 ADORA2A (0.46) ADORA2AADORA1DAOMAPK1TYMS
SCHEMBL5076877 0.71 CA12 (0.42) ADORA2AADORA1SNCAMAPK1CA12
SCHEMBL19126483 0.70 SNCA (0.39) SNCADAOMAPK1DDO
SCHEMBL14308952 0.69 SNCA (0.45) ADORA2AADORA1SNCA
SCHEMBL20005058 0.69 SNCA (0.42) ADORA2AADORA1SNCA

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-114874207-A Bicyclic compounds as MAT2A inhibitors 江苏先声药业有限公司 2022-08-09 CN disclosed