SCHEMBL25829630

SCHEMBL25829630

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1ccccc1n3-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL23259732 0.96 KDM4E (0.43) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL25829632 0.93 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL25830150 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL14933605 0.90 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL23259654 0.90 KMT2A (0.39) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL1637020 0.90 KDM4E (0.51) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL23259727 0.89 KDM4E (0.45) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL23259726 0.89 KDM4E (0.45) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL9890473 0.89 KDM4E (0.50) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL26329809 0.89 KDM4E (0.50) ALDH1A1KMT2AMEN1POLBTSHR

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