SCHEMBL30980938

SCHEMBL30980938

O=[N+]([O-])c1cc(Br)ccc1N[C@H]1C[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.51
MAPK1 P28482 5/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.44
WNK1 Q9H4A3 2/20 0.44
KMT2A Q03164 2/20 0.42
PSMD14 O00487 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 4/20 0.41
ATM Q13315 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28546794 1.00 HCAR3 (0.51) HCAR3MAPK1PKMRAB9AKDM4E
SCHEMBL24913721 1.00 HCAR3 (0.51) HCAR3MAPK1PKMRAB9AKDM4E
SCHEMBL21294007 0.87 HCAR3 (0.60) HCAR3MAPK1PKMRAB9AKDM4E
SCHEMBL29741389 0.87 HCAR3 (0.60) HCAR3MAPK1PKMRAB9AKDM4E
SCHEMBL20096272 0.87 HCAR3 (0.60) HCAR3MAPK1PKMRAB9AKDM4E
SCHEMBL21293972 0.87 HCAR3 (0.60) HCAR3MAPK1PKMRAB9AKDM4E
SCHEMBL17678246 0.85 HCAR3 (0.64) HCAR3MAPK1PKMRAB9AWNK1
SCHEMBL17678250 0.82 HCAR3 (0.66) HCAR3MAPK1WNK1KMT2APSMD14
SCHEMBL17048217 0.82 HCAR3 (0.66) HCAR3MAPK1WNK1KMT2APSMD14
SCHEMBL23177335 0.82 ABCB1 (0.46) HCAR3MAPK1PKMRAB9AKDM4E

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-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed