SCHEMBL18798592

SCHEMBL18798592

c1ccc2c(c1)oc1c(N(c3ccc4ccc5ccc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)c6ccc3c4c56)c3cccc4c3oc3ccccc34)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AHR P35869 3/20 0.34
MAOA P21397 2/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
ACHE P22303 1/20 0.34
JAK2 O60674 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL4083821 1.00 ALOX5 (0.37) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL20696442 0.97 CYP1A2 (0.39) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL4078954 0.96 TDP1 (0.40) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL20696443 0.94 TDP1 (0.39) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL17222497 0.93 ALOX5 (0.33) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL4089236 0.92 HPGD (0.34) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL18540431 0.92 ALOX5 (0.33) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL18798576 0.92 ALOX5 (0.34) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL2515170 0.92 ALOX5 (0.34) ALOX5TDP1L3MBTL1CYP1A2ALDH1A1
SCHEMBL16216515 0.91 HPGD (0.34) ALOX5TDP1L3MBTL1ALDH1A1HPGD

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-9640773-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-05-02 US disclosed
US-9640773-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-05-02 US disclosed