SCHEMBL6847469

SCHEMBL6847469

O=C1C=CC(=O)N1c1ccc(N=C=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.58
FAAH O00519 5/20 0.58
HSP90AA1 P07900 3/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CCR6 P51684 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DDAH1 O94760 1/20 0.44
BCHE P06276 1/20 0.44
P2RY6 Q15077 1/20 0.44
MIF P14174 1/20 0.43
CACNA1B Q00975 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
SCHEMBL42947 0.82 MGLL (0.60) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL14571384 0.81 MGLL (0.58) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL11410714 0.77 MGLL (0.71) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL95324 0.76 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL12263887 0.75 MGLL (0.68) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL12162484 0.74 MGLL (0.65) MGLLFAAHHSP90AA1PKMALDH1A1
Bitoscanate SCHEMBL157128 0.73 MIF (0.72) ALDH1A1MEN1HPGDKMT2ATDP1
SCHEMBL12410114 0.72 MGLL (0.62) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL26225498 0.72 MGLL (0.45) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL2696242 0.71 MGLL (0.65) MGLLFAAHHSP90AA1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683162-B2 ESPECIALLY AN ACTINIUM ISOTOPE COMPLEX OF 2-(P-ISOTHIOCYANATOBENZYL)-1,4,7,10-TETRAAZOCYCLODODECANE-1,4,7,10 -TETRAACETIC ACID THAT IS COVALENTLY BONDED TO AN ANTIBODY OR FRAGMENT SLOAN KETTERING INSTITUTE OF CANCER RESEARCH 2004-01-27 US claimed
WO-2024148174-A1 PEPTIDE SEQUENCER OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-11 WO disclosed
US-20170333566-A1 Conjugated Proteins AIMA BIOTECH (US) 2017-11-23 US disclosed
EP-3218011-A1 CONJUGATED PROTEINS Aima Biotech (US) 2017-09-20 EP disclosed
WO-2016077825-A1 CONJUGATED PROTEINS AIMA BIOTECH (US) 2016-05-19 WO disclosed
US-5412148-A Amplifier molecules derived from diethylene triaminepentaacetic acid for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1995-05-02 US disclosed
WO-1994003593-A1 AMPLIFIER MOLECULES FOR ENHANCEMENT OF DIAGNOSIS AND THERAPY THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1994-02-17 WO disclosed
US-5252317-A Amplifier molecules for diagnosis and therapy derived from 3,5-bis[1-(3-amino-2,2-bis (aminomethyl)-propyl) oxymethyl] benzoic acid THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1993-10-12 US disclosed
US-5135737-A Amplifier molecules for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1992-08-04 US disclosed