SCHEMBL18931273

SCHEMBL18931273

c1cc(-c2ccc3[nH]c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ GPR3 P46089 2/20 0.52
▸ KIF11 P52732 11/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46

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
SCHEMBL18931247 1.00 AHR (0.55) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL23156747 0.94 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18335692 0.94 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL30860162 0.94 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL19500811 0.94 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17562347 0.93 AHR (0.55) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18931245 0.93 AHR (0.55) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL21096036 0.91 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17166808 0.91 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18595766 0.91 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11

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
WO-2017188597-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-11-02 — — WO disclosed
WO-2017111543-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-29 — — WO disclosed
WO-2017095084-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-08 — — WO disclosed
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