SCHEMBL30425152

SCHEMBL30425152

O=[N+]([O-])c1cc(Br)ccc1NCC(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCAR3 P49019 2/20 0.40
MAPT P10636 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
KAT2B Q92831 2/20 0.40
S100A4 P26447 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PRSS1 P07477 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 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
SCHEMBL17042584 1.00 MAPK1 (0.48) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL30371569 0.88 MAPT (0.44) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL20529670 0.88 MAPT (0.44) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL18477376 0.85 MAPT (0.50) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL6896249 0.82 MAPT (0.62) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL1889528 0.81 PKM (0.45) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL594213 0.80 HCAR3 (0.61) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL29473160 0.79 RAB9A (0.48) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL8799901 0.79 RAB9A (0.48) MAPK1PKMRAB9AKDM4EALDH1A1
SCHEMBL1957506 0.78 MAPT (0.62) PKMALDH1A1TDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511375-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-02-26 EP disclosed
CN-119053599-A Bicyclic compounds 安力高医药股份有限公司 2024-11-29 CN disclosed
WO-2023205653-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
CN-116075510-A 1H-benzo [ d ] imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-05 CN disclosed