SCHEMBL16216596

SCHEMBL16216596

Cc1cccc2c1oc1c(N(c3ccccc3-c3ccccc3)c3ccc4ccc5c(N(c6ccccc6-c6ccccc6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MCL1 Q07820 1/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CRHR1 P34998 1/20 0.31
CYP17A1 P05093 2/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16203773 0.93 CYP17A1 (0.34) ADORA3ADORA2AADORA1MAOAMAOB
SCHEMBL16216688 0.91 ADORA3 (0.37) ADORA3ADORA2AADORA1MAOAMAOB
SCHEMBL23919352 0.90 ADORA3 (0.35) ADORA3ADORA2AADORA1MAOAMAOB
SCHEMBL16216518 0.89 ALDH1A1 (0.39) MAOAALDH1A1MCL1HPGDTSHR
SCHEMBL16216422 0.88 ALDH1A1 (0.36) MAOAMAOBALDH1A1MCL1HPGD
SCHEMBL16203759 0.86 ADORA3 (0.33) ADORA3ADORA2AADORA1MAOAMAOB
SCHEMBL16216406 0.86 MAOA (0.35) ADORA3ADORA2AADORA1MAOAMAOB
SCHEMBL29689547 0.86 ALOX5 (0.38) MAOBALDH1A1TSHRTDP1L3MBTL1
SCHEMBL18798572 0.86 ALOX5 (0.38) MAOBALDH1A1TSHRTDP1L3MBTL1
SCHEMBL4079273 0.86 ALOX5 (0.38) MAOBALDH1A1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9978948-B2 Ink composition, organic electroluminescence element, and electronic apparatus JOLED INC. (JP) 2018-05-22 US disclosed
US-9978948-B2 Ink composition, organic electroluminescence element, and electronic apparatus JOLED INC. (JP) 2018-05-22 US disclosed
US-20170148993-A1 INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS MAGNOLIA BLUE CORPORATION (JP) 2017-05-25 US disclosed
US-20170148993-A1 INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS MAGNOLIA BLUE CORPORATION (JP) 2017-05-25 US disclosed
US-9650519-B2 Ink composition, organic electroluminescence element, and electronic apparatus SONY CORPORATION (JP) 2017-05-16 US disclosed
US-9650519-B2 Ink composition, organic electroluminescence element, and electronic apparatus SONY CORPORATION (JP) 2017-05-16 US disclosed
US-20170073528-A1 INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS MAGNOLIA BLUE CORPORATION (JP) 2017-03-16 US disclosed
US-20170073528-A1 INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS MAGNOLIA BLUE CORPORATION (JP) 2017-03-16 US disclosed
US-20160365516-A1 INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS JOLED INC. (JP) 2016-12-15 US disclosed
US-9312500-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-04-12 US disclosed
US-9312500-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-04-12 US disclosed
US-20140326985-A1 AROMATIC AMINE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-11-06 US disclosed
US-20140326985-A1 AROMATIC AMINE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-11-06 US disclosed