SCHEMBL17826901

SCHEMBL17826901

Cc1ccccc1N(c1ccc2ccccc2c1)c1cc2c3ccccc3c(N(c3ccccc3)c3ccc4ccccc4c3)cc2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPRT1 P00492 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL13775184 0.89 HTT (0.34) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL2544706 0.89 KDM4E (0.35) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL16627121 0.89 CYP2A6 (0.39) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL15197388 0.87 CYP2A6 (0.32) KDM4EL3MBTL1CYP1A2ALDH1A1CYP2A6
SCHEMBL13775215 0.86 CYP2A6 (0.42) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL13333676 0.86 SIGMAR1 (0.38) KDM4EL3MBTL1CYP1A2ALDH1A1HPGD
SCHEMBL17933062 0.86 HPRT1 (0.38) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL13367417 0.85 CYP2A6 (0.42) KDM4EHTTNPSR1L3MBTL1CYP1A2
SCHEMBL4545235 0.84 HPRT1 (0.44) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL13024029 0.84 HTT (0.46) KDM4EHTTNPSR1L3MBTL1CYP1A2

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
EP-2199361-B2 Organic electroluminescent devices and organic luminescent medium IDEMITSU KOSAN CO (JP) 2016-06-15 EP disclosed