SCHEMBL14986331

SCHEMBL14986331

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4c(cc23)c2ccc(-c3ccccn3)cc2c2ccc3ccccc3c24)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 5/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ TP53 P04637 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ APEX1 P27695 1/20 0.35

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
SCHEMBL14986323 0.89 KDR (0.37) DHODHHPGDPRMT5WDR77SMN1; SMN2
SCHEMBL14884455 0.89 ESR1 (0.44) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL14884467 0.86 DHODH (0.40) DHODHCYP1A1CYP1B1MAPTKDM4E
SCHEMBL13147145 0.85 DHODH (0.41) AHRDHODHCYP1A1CYP1A2CYP1B1
SCHEMBL22328081 0.84 DHODH (0.43) DHODHCYP1A2MAPTKDM4EALDH1A1
SCHEMBL10300903 0.84 DHODH (0.46) DHODHCYP1A2MAPTKDM4EALDH1A1
SCHEMBL13903066 0.83 DHODH (0.43) DHODHCYP1A2MAPTKDM4EALDH1A1
SCHEMBL12589258 0.83 PRMT5 (0.44) DHODHCYP1A2KDM4EALDH1A1HPGD
SCHEMBL10300931 0.83 PRMT5 (0.46) DHODHCYP1A2MAPTKDM4EALDH1A1
SCHEMBL12011508 0.82 SMN1; SMN2 (0.41) AHRDHODHCYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9590183-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2017-03-07 — — US disclosed
US-9590183-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2017-03-07 — — US disclosed
US-20140264318-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-09-18 — — US disclosed
US-20140264318-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-09-18 — — US disclosed
WO-2013077142-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-05-30 — — WO disclosed
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