SCHEMBL9105844

SCHEMBL9105844

Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.61
RAB9A P51151 10/20 0.61
KDM4E B2RXH2 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
HPGD P15428 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 4/20 0.61
TP53 P04637 3/20 0.61
L3MBTL1 Q9Y468 4/20 0.59
GAA P10253 1/20 0.59
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
POLB P06746 2/20 0.58
SENP8 Q96LD8 1/20 0.58
STAT1 P42224 1/20 0.57
MAPT P10636 4/20 0.53
ELANE P08246 1/20 0.52
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51

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
SCHEMBL903255 1.00 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL29442076 1.00 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2HPGD
Iodide SCHEMBL8417295 0.98 NPC1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL5849595 0.84 L3MBTL1 (0.77) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL13528421 0.83 L3MBTL1 (0.82) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL5541680 0.83 KDM4E (0.63) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL1192488 0.79 ESR1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL353166 0.79 LMNA (0.61) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL1133163 0.79 L3MBTL1 (0.56) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL5543053 0.79 GAA (0.56) NPC1RAB9AKDM4ESMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP 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
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