SCHEMBL12367175

SCHEMBL12367175

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)ncc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA1 P30542 11/20 0.43
ADORA2A P29274 6/20 0.43
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HDAC4 P56524 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL20926787 0.83 KDM4E (0.39) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL20926788 0.82 KDM4E (0.38) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL19654630 0.81 ATM (0.40) KDM4EATML3MBTL1ADORA1ADORA2A
SCHEMBL20926783 0.80 KDM4E (0.36) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL12031618 0.78 L3MBTL1 (0.47) KDM4EATML3MBTL1ADORA1ADORA2A
SCHEMBL9888842 0.78 KDM4E (0.47) KDM4EATML3MBTL1ADORA1ESR1
SCHEMBL20926794 0.78 KDM4E (0.36) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL14554724 0.77 KDM4E (0.46) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL13872016 0.77 L3MBTL1 (0.46) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL20926819 0.76 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1USP2

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
US-7990046-B2 Material for organic electroluminescent devices and organic electroluminescent devices made by using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-02 US disclosed
US-7990046-B2 Material for organic electroluminescent devices and organic electroluminescent devices made by using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-02 US disclosed