SCHEMBL4266501

SCHEMBL4266501

NC1(c2ccccc2)C=c2ccccc2=N1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.33
MAOB P27338 5/20 0.33
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
DPP4 P27487 1/20 0.31
KDM1A O60341 3/20 0.31
REN P00797 1/20 0.30
APP P05067 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
SCHEMBL28844972 0.73 BACE1 (0.32) BACE1
SCHEMBL5607855 0.73 BACE1 (0.33) BACE1BACE2RENAPP
SCHEMBL11790546 0.71 SLC6A2 (0.31)
SCHEMBL11790550 0.71 MAOA (0.35) MAOAMAOBTAAR1DPP4
Hydrochloric Acid SCHEMBL28531913 0.71 KDM1A (0.40) MAOAMAOBKDM1A
SCHEMBL28213844 0.68
SCHEMBL11557726 0.67
SCHEMBL7270073 0.67 PKM (0.37)
SCHEMBL17532797 0.67
Hydrochloric Acid SCHEMBL28524750 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062236-A1 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-05 US disclosed
US-7169611-B2 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-30 US disclosed
EP-0758249-B1 PROGRAMMABLE GENOTOXIC AGENTS AND USES THEREFOR MASSACHUSETTS INST TECHNOLOGY (US) 2006-08-02 EP disclosed
US-20030220311-A1 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-11-27 US disclosed
US-6500669-B1 FOR SELECTIVELY KILLING A SUBPOPULATION OF CELLS IN A HETEROGENOUS CELL POPULATION; ALKYLATING AGENTS OR HEAVY METAL COORDINATION COMPOUNDS LINKED TO A COMPOUND THAT BINDS TO STEROID RECEPTOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-12-31 US disclosed
US-5879917-A DESIGNED TO KILL SELECTED CELLS PRESENT IN HETERGENOUS CELL POPULATION; CAUSE SELECTIVE KILLING OF TRANSFORMED CELLS, VIRAL-INFECTED CELLS, ETC. MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-03-09 US disclosed
EP-0758249-A1 PROGRAMMABLE GENOTOXIC AGENTS AND USES THEREFOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1997-02-19 EP disclosed
WO-1995030442-A1 PROGRAMMABLE GENOTOXIC AGENTS AND USES THEREFOR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-11-16 WO disclosed