SCHEMBL1828850

SCHEMBL1828850

O=[N+]([O-])c1ccc2ccncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 3/20 0.49
NOS1 P29475 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
MAOB P27338 1/20 0.49
SLC6A2 P23975 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
PRKCZ Q05513 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3B P49841 1/20 0.43
HASPIN Q8TF76 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43

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
SCHEMBL3293939 0.93 MAPT (0.49) MAPTPOLBLMNANOS1CYP3A4
Biphenyl SCHEMBL28799571 0.84 CYP19A1 (0.48) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9041848 0.82 MEN1 (0.49) MAPTPOLBLMNANOS1CYP3A4
SCHEMBL3829978 0.80 TSHR (0.56) MAPTPOLBLMNANOS1CYP3A4
SCHEMBL14010958 0.79 MAPT (0.53) MAPTPOLBLMNANOS1CYP3A4
SCHEMBL30095409 0.79 MAPT (0.53) MAPTPOLBLMNANOS1CYP3A4
SCHEMBL28122579 0.77 TSHR (0.59) MAPTPOLBLMNANOS1CYP3A4
Isoquinoline SCHEMBL13822661 0.76 ALDH1A1 (0.57) MAPTPOLBLMNANPC1RAB9A
SCHEMBL14486805 0.75 ALDH1A1 (0.65) MAPTPOLBLMNANOS1MAOB
SCHEMBL57616 0.74 LMNA (0.56) MAPTLMNANOS1CYP3A4ALOX15

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602466-A A kind of preparation method of Nuo get Si Ta medicines 孙婷婷 2018-01-19 CN claimed
CN-102875465-A Method for preparing 7-bromoisoquinoline UNIV SHANGHAI 2013-01-16 CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
CN-106083719-B The method for preparing isoquinoline compound 菲布罗根有限公司 2019-10-18 CN disclosed
CN-110294742-A And ring class ASK1 inhibitor and its application 山东轩竹医药科技有限公司 2019-10-01 CN disclosed
CN-107602466-A A kind of preparation method of Nuo get Si Ta medicines 孙婷婷 2018-01-19 CN disclosed
EP-3219706-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS Fibrogen, Inc. (US) 2017-09-20 EP disclosed
US-9708269-B2 Process for making isoquinoline compounds FIBROGEN, INC. (US) 2017-07-18 US disclosed
EP-2872487-B1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN INC (US) 2017-04-26 EP disclosed
CN-106083719-A The method preparing isoquinoline compound 菲布罗根有限公司 2016-11-09 CN disclosed
EP-0808307-A1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1997-11-26 EP disclosed
CN-1162310-A Bicyclic amidine derivatives used in therapy ASTRA AB (SE) 1997-10-15 CN disclosed
EP-0759027-A1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE Astra Aktiebolag (SE) 1997-02-26 EP disclosed
WO-1997006158-A1 BICYCLIC AMIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1997-02-20 WO disclosed
WO-1996024588-A1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1996-08-15 WO disclosed
WO-1996001817-A1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AKTIEBOLAG (SE) 1996-01-25 WO disclosed
CN-85102138-A The preparation method of pyrimidoisoquinolinederivatives derivatives 1986-04-10 CN disclosed
US-4022900-A Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents MARION LABORATORIES, INC. (US) 1977-05-10 US disclosed