SCHEMBL9104852

SCHEMBL9104852

O=C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.71
TSHR P16473 2/20 0.71
HTT P42858 1/20 0.56
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
PLOD2 O00469 1/20 0.54
ALDH1A1 P00352 1/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR52 Q9Y2T5 1/20 0.50
EPHX2 P34913 1/20 0.50
NAPRT Q6XQN6 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47

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
SCHEMBL9458366 0.84 GAA (0.68) GAATSHRHTTKMT2ALMNA
Hydrochloric Acid SCHEMBL11508162 0.83 GAA (0.66) GAATSHRHTTKMT2ALMNA
SCHEMBL14855305 0.83 GAA (0.66) GAATSHRHTTKMT2ALMNA
SCHEMBL14855303 0.82 GAA (0.64) GAATSHRHTTKMT2ALMNA
SCHEMBL30452096 0.81 GAA (0.63) GAATSHRHTTKMT2ALMNA
SCHEMBL9011240 0.78 KMT2A (0.61) GAATSHRHTTKMT2ALMNA
SCHEMBL13571398 0.77 TSHR (0.84) GAATSHRHTTKMT2ALMNA
SCHEMBL1399532 0.75 GAA (0.56) GAATSHRHTTKMT2ALMNA
SCHEMBL6987105 0.75 GAA (0.56) GAATSHRHTTKMT2ALMNA
SCHEMBL27781493 0.75 LMNA (0.63) GAATSHRKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP disclosed
US-5321001-A Photodynamic plant defoliants THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1994-06-14 US disclosed
US-5242892-A With 5-aminolevulinic acid THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1993-09-07 US disclosed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP disclosed
US-5163990-A Modulation of chlorophyll biosynthesis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1992-11-17 US disclosed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO disclosed