SCHEMBL867461

SCHEMBL867461

c1ccc(Nc2cccnn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALPG P10696 1/20 0.56
GOT1 P17174 1/20 0.54
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
CDK2 P24941 2/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
NPC1 O15118 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL15146086 0.82 GOT1 (0.48) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL11622230 0.81 GOT1 (0.52) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL8326091 0.77 ABCG2 (0.49) GOT1
SCHEMBL28246727 0.77 MAPT (0.52) MAPTMEN1KMT2ARAB9AGOT1
SCHEMBL3951214 0.77 AHR (0.55) GOT1NPC1ROCK1JAK2JAK1
SCHEMBL1943629 0.77 ALDH1A1 (0.50) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL29163817 0.74 GOT1 (0.65) MEN1KMT2AGOT1JAK2JAK1
SCHEMBL29134217 0.74 ALDH1A1 (0.50) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL29582475 0.73 MEN1 (0.64) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL626575 0.73 MEN1 (0.64) MAPTMEN1KMT2ARAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431139-A Stereospecific lipids for locoregional therapy with long-term circulating stimuli-sensitive nanocarrier systems THERMOSOME GmbH 2016-03-23 CN claimed
CN-102907432-A Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG 2013-02-06 CN claimed
CN-101909445-A Fungicidal compositions SYNGENTA PARTICIPATIONS AG 2010-12-08 CN claimed
CN-101677558-A fungicidal compositions SYNGENTA PARTICIPATIONS AG 2010-03-24 CN claimed
CN-101460061-A Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2009-06-17 CN claimed
CN-101184391-A Substance combinations with synergistic fungicidal activity BAYER CROPSCIENCE AG (DE) 2008-05-21 CN claimed
JP-60185769-A None JP disclosed
JP-60185768-A None JP disclosed
JP-63162607-A None JP disclosed
JP-1143805-A None JP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
EP-3632901-B1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF UNIV COLUMBIA (US) 2022-02-02 EP disclosed
JP-H01143805-A HERBICIDAL COMPOSITION MITSUI TOATSU CHEM INC 1989-06-06 JP disclosed
JP-S63162607-A HERBICIDAL COMPOSITION MITSUI TOATSU CHEM INC 1988-07-06 JP disclosed
US-4689334-A Triazoline anticonvulsant compounds and compositions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1987-08-25 US disclosed
US-4618681-A Aryl substituted 1H-4,5-dihydro-1,2,3-triazoles as anticonvulsants THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1986-10-21 US disclosed
JP-S60185768-A ANILINOPYRIDAZINE DERIVATIVE AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT MITSUI TOATSU CHEM INC 1985-09-21 JP disclosed
JP-S60185769-A PHENYLAMINOPYRIDAZINE DERIVATIVE AND HERBICIDE CONTAINING ACID DERIVATIVE AS ACTIVE COMPONENT MITSUI TOATSU CHEM INC 1985-09-21 JP disclosed
US-4511572-A Triazoline anticonvulsant drugs THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1985-04-16 US disclosed