SCHEMBL13292383

SCHEMBL13292383

c1ccc(-c2cccc(-c3ccccc3)c2N(c2ccccc2)c2cccc(N(c3ccccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALOX5 P09917 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL30332614 0.94 ALDH1A1 (0.41) BACE1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL24054506 0.88 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDMAPK1BCL2L1
SCHEMBL25846937 0.87 MAPT (0.40) CYP2A6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24624062 0.86 ALDH1A1 (0.36) BACE1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL27269771 0.86 ALDH1A1 (0.39) BACE1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL15807491 0.86 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDMAPK1BCL2L1
SCHEMBL24623156 0.86 POLB (0.36) BACE1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL27269886 0.86 MAPT (0.40) BACE1ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL26028713 0.85 ALDH1A1 (0.34) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL15685969 0.85 ALDH1A1 (0.39) BACE1ALDH1A1HSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9564599-B2 Organic electroluminescent device having specific diamine compound UDC IRELAND LIMITED (IE) 2017-02-07 — — US disclosed
US-9564599-B2 Organic electroluminescent device having specific diamine compound UDC IRELAND LIMITED (IE) 2017-02-07 — — US disclosed
US-20150243900-A1 Organic Electroluminescent Device Having Specific Diamine Compound UDC IRELAND LTD (IE) 2015-08-27 — — US disclosed
US-20150243900-A1 Organic Electroluminescent Device Having Specific Diamine Compound UDC IRELAND LTD (IE) 2015-08-27 — — US disclosed
US-8980441-B2 Organic electroluminescent device having specific diamine compound UDC IRELAND LIMITED (IE) 2015-03-17 — — US disclosed
US-8980441-B2 Organic electroluminescent device having specific diamine compound UDC IRELAND LIMITED (IE) 2015-03-17 — — US disclosed
US-20100155712-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
US-20100155712-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
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