SCHEMBL8707352

SCHEMBL8707352

COc1ccc2oc(=O)cc(CBr)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.74
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 4/20 0.63
HSD17B10 Q99714 2/20 0.63
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
CASP3 P42574 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
CYP2D6 P10635 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LCK P06239 1/20 0.53

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
SCHEMBL27470491 0.88 DYRK1A (0.70) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29443248 0.88 CYP2D6 (0.72) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL67779 0.88 CYP2D6 (0.72) DYRK1AKDM4EALDH1A1HPGDHSD17B10
Phosphine SCHEMBL17375055 0.87 CYP2D6 (0.70) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24938765 0.85 DYRK1A (1.00) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL67273 0.78 MCL1 (0.47) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31344274 0.78 MCL1 (0.47) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7115071 0.78 ALDH1A1 (1.00) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15842463 0.78 KDM4E (0.71) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29975674 0.77 CYP2D6 (0.68) DYRK1AKDM4EALDH1A1HPGDHSD17B10

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
JP-5000945-A None JP disclosed
US-5716983-A ADMINISTERING PHOSPHOLIPASE INHIBITOR FOR TREATMENT OF INFLAMMATORY DISEASES, ALLERGIES, INJURIES, CARDIOVASCULAR DISORDERS, AUTOIMMUNE DISORDERS OR TRANSPLANT REJECTION BOEHRINGER MANNHEIM GMBH (DE) 1998-02-10 US disclosed
JP-H05945-A CARCINOSTATIC AGENT NIKKO KYODO CO LTD 1993-01-08 JP disclosed