SCHEMBL18819364

SCHEMBL18819364

c1ccc2c(c1)NC1c3ccc4ccccc4c3-c3ccccc3N21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 10/20 0.33
▸ KDM4E B2RXH2 8/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ NCF1 P14598 1/20 0.32

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
SCHEMBL18819357 0.79 ALDH1A1 (0.37) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL17014574 0.76 IDO1 (0.43) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL12545409 0.75 AKT1 (0.37) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL12545492 0.73 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL14644207 0.72 HDAC8 (0.36) POLBALDH1A1KDM4EGAAHSD17B10
SCHEMBL12545499 0.70 ALDH1A1 (0.31) ALDH1A1CYP1A2ALOX15
SCHEMBL12545483 0.69 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL19154202 0.69 IDO1 (0.48) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL23655173 0.69 KDM4E (0.33) POLBALDH1A1KDM4EMAPTGAA
SCHEMBL19142970 0.69 RAB9A (0.41) POLBALDH1A1KDM4EKMT2AMEN1

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
EP-3339293-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-06-27 — — EP disclosed
WO-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
WO-2017074053-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-05-04 — — WO disclosed
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