SCHEMBL4696303

SCHEMBL4696303

[Pd].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
GLA P06280 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TSHR P16473 5/20 0.33
ALOX12 P18054 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
MMP3 P08254 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CA7 P43166 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11600 1.00 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL3158336 1.00 TDP1 (0.41) TDP1CA1CA2CA9CA12
SCHEMBL28159040 0.96 TDP1 (0.39) TDP1CA1CA2CA9CA12
Benzene SCHEMBL28239903 0.96 TDP1 (0.44) TDP1CA1CA2CA9CA12
Benzene SCHEMBL28943358 0.96 TDP1 (0.44) TDP1CA1CA2CA9CA12
SCHEMBL28047489 0.96 TDP1 (0.44) TDP1CA1CA2CA9CA12
SCHEMBL49343 0.96 TDP1 (0.44) TDP1CA1CA2CA9CA12
Benzene SCHEMBL4445625 0.96 TDP1 (0.44) TDP1CA1CA2CA9CA12
Hydrochloric Acid SCHEMBL28731681 0.93 CA1 (0.37) TDP1CA1CA2CA9CA12
Ethane SCHEMBL4318566 0.93 TSHR (0.37) TDP1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120349290-B Resist, preparation method, composition, adhesive layer and pattern forming method 南开大学 2026-05-19 CN disclosed
CN-117940408-A Acridine compounds 国立大学法人大阪大学 2024-04-26 CN disclosed
CN-110959010-B Metal complex UDC爱尔兰有限公司 2024-01-23 CN disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
CN-107109221-B Bimesogenic compounds and mesogenic media 默克专利股份有限公司 2021-03-12 CN disclosed
CN-108147972-A A kind of preparation method of Wei Patawei intermediates and the like 成都西岭源药业有限公司 2018-06-12 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
US-6509337-B1 A method of treating a mammalian disease condition mediated by metalloproteinase activity which comprises administering to a mammal in need thereof a therapeutically effective amount of a compound as defined in claim 1 or a pharmaceutically PFIZER INC. 2003-01-21 US disclosed
US-6169183-B1 REACTING 2,3-DIHALOPYRIDINE WITH CARBON MONOXIDE AND ALKANOL IN PRESENCE OF WEAK BASE AND COMPLEX OF PALLADIUM WITH SPECIFIED BIS(DIPHENYLPHOSPHINE), WHEREIN REACTION IS STOPPED AS SOON AS MAXIMUM CONCENTRATION OF ESTER IS ACHIEVED LONZA, LTD. (CH) 2001-01-02 US disclosed
US-6162921-A Process for preparing pyridinecarboxylic esters LONZA, LTD (CH) 2000-12-19 US disclosed
US-6022973-A Process for preparing pyridinecarboxylic esters LONZA LTD. (CH) 2000-02-08 US disclosed
US-5925765-A Process for preparing pyridinecarboxylic esters LONZA AG (CH) 1999-07-20 US disclosed