SCHEMBL25829017

SCHEMBL25829017

O=c1c2c(ccc3c4ccccc4n(-c4ccccc4)c32)c2c3c4ccccc4n(-c4ccccc4)c3ccc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
BRCA1 P38398 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK8 P45983 2/20 0.40
PGR P06401 3/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL24597959 0.93 KDM4E (0.49) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL14933359 0.90 KDM4E (0.55) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL22479016 0.88 KDM4E (0.50) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL24597964 0.88 KDM4E (0.50) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL14933355 0.88 KDM4E (0.58) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL14933554 0.86 KDM4E (0.53) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL30092608 0.86 L3MBTL1 (0.64) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL4378079 0.86 L3MBTL1 (0.64) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL24597940 0.85 KDM4E (0.50) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL20390282 0.85 L3MBTL1 (0.53) KDM4EATML3MBTL1KMT2AALDH1A1

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
WO-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed