SCHEMBL21636091

SCHEMBL21636091

O=c1c2ccccc2c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 4/20 0.38
FAAH O00519 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.37
POLB P06746 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
SCHEMBL21636059 0.97 MAPK1 (0.49) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL26042851 0.97 MAPK1 (0.49) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL26046196 0.94 KMT2A (0.49) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL26047893 0.93 MAPK1 (0.54) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL26046110 0.93 KMT2A (0.48) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14933310 0.91 KMT2A (0.43) MAPK1KMT2AGAAMEN1PDE10A
SCHEMBL21636060 0.91 MAPK1 (0.56) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL20227629 0.91 MAPK1 (0.56) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL26042863 0.91 MAPK1 (0.56) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL20227624 0.91 MAPK1 (0.59) MAPK1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3823958-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
WO-2020016264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-23 WO disclosed