SCHEMBL15835322

SCHEMBL15835322

c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.42
▸ AHR P35869 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 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
SCHEMBL15835326 0.90 AHR (0.37) IRAK4AHRALDH1A1NPY5RMAPT
SCHEMBL15835331 0.88 DHODH (0.39) IRAK4AHRDHODHNPY5RMAPT
SCHEMBL15835498 0.88 NPC1 (0.39) IRAK4AHRALDH1A1KDM4EHPGD
SCHEMBL15835313 0.88 NPC1 (0.39) IRAK4ALDH1A1DHODHMAPTKDM4E
SCHEMBL20871705 0.86 ALDH1A1 (0.39) IRAK4AHRALDH1A1KDM4EHPGD
SCHEMBL15835316 0.86 ALDH1A1 (0.38) IRAK4ALDH1A1DHODHMAPTKDM4E
SCHEMBL15835323 0.86 CYP11B1 (0.40) IRAK4ALDH1A1DHODHMAPTKDM4E
SCHEMBL15835317 0.86 IRAK4 (0.34) IRAK4AHRALDH1A1NPY5RMAPT
SCHEMBL15835358 0.86 CYP2A6 (0.44) IRAK4AHRALDH1A1DHODHMAPT
SCHEMBL15835374 0.86 MAPT (0.41) IRAK4AHRALDH1A1DHODHNPY5R

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-9543527-B2 Red phosphorescent compound and organic light emitting diode device using the same LG DISPLAY CO., LTD. (KR) 2017-01-10 — — US disclosed
US-9543527-B2 Red phosphorescent compound and organic light emitting diode device using the same LG DISPLAY CO., LTD. (KR) 2017-01-10 — — US disclosed
US-20140175402-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2014-06-26 — — US disclosed
US-20140175402-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2014-06-26 — — US disclosed
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