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SCHEMBL2623461

SCHEMBL2623461

Oc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 11/20 0.54
▸ HSD17B2 P37059 11/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MMP3 P08254 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ ESR1 P03372 4/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.41

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
SCHEMBL9136317 1.00 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL504209 0.98 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL913348 0.98 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL223856 0.98 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
Water SCHEMBL913259 0.96 CYP3A4 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL13104514 0.94 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL3108730 0.94 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
Bicarbonate SCHEMBL9000318 0.93 ALDH1A1 (0.46) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL23789706 0.92 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2C9MMP3
SCHEMBL13699172 0.92 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2C9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173456-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsubishi Chemical Corporation (JP) 2017-05-31 — — EP disclosed
EP-2117062-B1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2017-01-18 — — EP disclosed
US-20150079714-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-03-19 — — US disclosed
US-20150079714-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-03-19 — — US disclosed
US-20120091443-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2012-04-19 — — US disclosed
US-20120091443-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2012-04-19 — — US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 — — US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 — — US disclosed
EP-2117062-A1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE Mitsubishi Chemical Corporation (JP) 2009-11-11 — — EP disclosed