SCHEMBL4713288

SCHEMBL4713288

O=c1oc2cc3oc(-c4ccccn4)nc3cc2c2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.50
ALDH1A1 P00352 8/20 0.49
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 6/20 0.49
NPC1 O15118 5/20 0.49
HPGD P15428 5/20 0.49
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A2 O94788 2/20 0.43
ALDH2 P05091 2/20 0.43
ALDH1B1 P30837 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL4709072 0.83 ALDH1A1 (0.47) HSD17B10ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4712015 0.80 ALDH1A1 (0.46) HSD17B10ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4856691 0.79 TSHR (0.51) HSD17B10ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4711745 0.78 TDP1 (0.53) HSD17B10ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4708821 0.76 ALDH1A1 (0.47) HSD17B10ALDH1A1RAB9AKDM4EHPGD
SCHEMBL4709238 0.76 ALDH1A1 (0.46) HSD17B10ALDH1A1RAB9AKDM4EHPGD
SCHEMBL4711081 0.75 ALDH1A1 (0.48) HSD17B10ALDH1A1RAB9AKDM4EHPGD
SCHEMBL4710884 0.74 ALDH1A1 (0.59) HSD17B10ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4709144 0.74 ELANE (0.50) HSD17B10ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4790015 0.72 ALDH1A1 (0.53) HSD17B10ALDH1A1RAB9AKDM4ENPC1

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-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed