SCHEMBL17740677

SCHEMBL17740677

c1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.39
▸ AHR P35869 2/20 0.37
▸ DUSP3 P51452 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL26490571 0.94 SIGMAR1 (0.36) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL17740635 0.93 MMP12 (0.36) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL21966511 0.93 KDM4E (0.37) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL15138510 0.93 AHR (0.39) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL17637178 0.92 AHR (0.45) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL17740750 0.92 SIGMAR1 (0.35) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL21968724 0.92 KDM4E (0.38) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL14295472 0.92 AHR (0.38) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL14295473 0.92 AHR (0.38) SIGMAR1AHRDUSP3MAPTKDM4E
SCHEMBL24154496 0.92 AHR (0.40) SIGMAR1AHRDUSP3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9412964-B2 Organic electroluminescent element UDC IRELAND LIMITED (IE) 2016-08-09 — — US disclosed
US-9412964-B2 Organic electroluminescent element UDC IRELAND LIMITED (IE) 2016-08-09 — — US disclosed
WO-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 — — WO disclosed
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