SCHEMBL23738902

SCHEMBL23738902

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23738750 0.97 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL23738770 0.91 MAPT (0.35) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL23184510 0.89 MAPT (0.35) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL23183984 0.88
SCHEMBL23183982 0.88 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL23184278 0.88 THRB (0.31)
SCHEMBL20199598 0.88 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL20199756 0.87 KDM4E (0.36) KDM4EALDH1A1MAPTHPGD
SCHEMBL23738906 0.87 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL23184343 0.86 THRB (0.31) ALDH1A1MAPTMAPK1KMT2A

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
EP-3388438-B1 SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 EP disclosed