SCHEMBL17899222

SCHEMBL17899222

c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL17899235 0.97 ALOX5 (0.46) ALOX5ENPP3ENPP1MAPTALDH1A1
SCHEMBL17899181 0.96 ALOX5 (0.50) ALOX5ENPP3ENPP1MAPTALDH1A1
SCHEMBL15501712 0.95 ALOX5 (0.49) ALOX5ENPP3ENPP1MAPTALDH1A1
SCHEMBL15501622 0.95 ALOX5 (0.51) ALOX5MAPTALDH1A1HPGDKDM4E
SCHEMBL19397608 0.94 ALOX5 (0.45) ALOX5ENPP3ENPP1MAPTALDH1A1
SCHEMBL19277883 0.94 ALOX5 (0.42) ALOX5ENPP3ENPP1MAPTALDH1A1
SCHEMBL15501813 0.93 ALOX5 (0.46) ALOX5MAPTALDH1A1HPGDKDM4E
SCHEMBL17899179 0.93 ALOX5 (0.49) ALOX5ENPP3ENPP1MAPTALDH1A1
SCHEMBL15501863 0.93 ALOX5 (0.51) ALOX5MAPTALDH1A1HPGDKDM4E
SCHEMBL15501911 0.93 ALOX5 (0.51) ALOX5MAPTALDH1A1HPGDKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170244044-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-24 US disclosed
US-20170244044-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-24 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed