SCHEMBL10042901

SCHEMBL10042901

CCCCc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KAT2B Q92831 1/20 0.40
HSD11B1 P28845 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC2A1 P11166 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13932488 1.00 KDM4E (0.44) KDM4EATML3MBTL1KAT2BHSD11B1
SCHEMBL13932493 0.96 HSD11B1 (0.43) KDM4EATML3MBTL1KAT2BHSD11B1
SCHEMBL20005809 0.93 HSD11B1 (0.47) KDM4EATML3MBTL1KAT2BHSD11B1
SCHEMBL15868764 0.92 CA1 (0.43) KDM4EATML3MBTL1KAT2BHSD11B1
SCHEMBL13629284 0.92 RORA (0.45) KDM4EATML3MBTL1CYP1A2CYP2D6
SCHEMBL16358943 0.90 KDM4E (0.40) KDM4EATML3MBTL1KAT2BHSD11B1
SCHEMBL14020654 0.90 RORA (0.43) KDM4EATML3MBTL1HSD11B1SMN1; SMN2
SCHEMBL13932489 0.90 RORA (0.44) KDM4EATML3MBTL1KEAP1NFE2L2
SCHEMBL24004283 0.88 KDM4E (0.41) KDM4EATML3MBTL1KAT2BHSD11B1
SCHEMBL17248306 0.87 KDM4E (0.46) KDM4EATML3MBTL1KAT2BHSD11B1

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
US-20120037889-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE AND ILLUMINATION DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-02-16 US disclosed