SCHEMBL28487534

SCHEMBL28487534

O=Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.49
ALDH1A1 P00352 4/20 0.40
KIF11 P52732 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SRC P12931 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL11065612 0.82 PTGER4 (0.52) PTGER4ALDH1A1KIF11KDM4EHTT
SCHEMBL782631 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGSK3AGSK3B
SCHEMBL29521714 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGSK3AGSK3B
SCHEMBL28759895 0.80 PTGER4 (0.47) PTGER4ALDH1A1KIF11KDM4EHTT
SCHEMBL17513001 0.78 KDM4E (0.54) PTGER4ALDH1A1KIF11KDM4EHTT
SCHEMBL7163446 0.78 KDM4E (0.60) PTGER4ALDH1A1KIF11KDM4EHTT
SCHEMBL23358303 0.78 KDM4E (0.46) ALDH1A1KDM4EHTTGSK3AGSK3B
SCHEMBL30634070 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHTTGSK3AGSK3B
SCHEMBL26129530 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHTTGSK3AGSK3B
SCHEMBL13767901 0.77 PTGER4 (0.52) PTGER4ALDH1A1KIF11KDM4EHTT

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
CN-115368384-B Organic compound, application thereof and organic electroluminescent device comprising same 清华大学 2023-08-08 CN disclosed
CN-111909154-B Organic compound, application thereof and organic electroluminescent device comprising organic compound 清华大学 2022-10-14 CN disclosed
CN-111909154-A Organic compound, application thereof and organic electroluminescent device comprising organic compound 清华大学 2020-11-10 CN disclosed