SCHEMBL12286284

SCHEMBL12286284

c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
ATM Q13315 1/20 0.70
PTPN1 P18031 2/20 0.44
GPR3 P46089 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 2/20 0.40
HDAC4 P56524 1/20 0.40
MAPK9 P45984 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.37
IL1R1 P14778 1/20 0.37
MAPK1 P28482 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
PGR P06401 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12286285 0.96 L3MBTL1 (0.78) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL17189939 0.94 L3MBTL1 (0.61) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL13562926 0.93 L3MBTL1 (0.67) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL77361 0.90 L3MBTL1 (0.84) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL31397606 0.90 L3MBTL1 (0.84) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL29462713 0.90 L3MBTL1 (0.84) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL19931165 0.90 KDM4E (0.57) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL10027546 0.89 L3MBTL1 (0.75) KDM4EL3MBTL1ATMPTPN1GPR3
SCHEMBL13562907 0.88 L3MBTL1 (0.73) KDM4EL3MBTL1ATMCYP1A2CYP2C19
SCHEMBL18381783 0.87 L3MBTL1 (0.80) KDM4EL3MBTL1ATMPTPN1GPR3

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-2011132866-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-10-27 WO disclosed