SCHEMBL8146151

SCHEMBL8146151

COc1ccc2c(c1)c(C(N)C(C)OC(=O)/C=C/C(=O)OC(C)C(N)c1nn(C)c3ccc(OC)cc13)nn2C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
NAMPT P43490 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL8138711 0.85 MAPK8 (0.42) KDM4ENAMPTMAPTKDM4C
SCHEMBL8146168 0.76 PRKAG1 (0.40) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL24915548 0.75 KDM4E (0.45) HTR3AKDM4EGAAMTNR1AMTNR1B
SCHEMBL905833 0.74 HSD17B10 (0.40) HTR3AKDM4EGAANAMPTMAPT
SCHEMBL5678098 0.71 DYRK1A (0.38) KDM4EGAASMN1; SMN2
Fumaric Acid SCHEMBL8146150 0.71 HTR3A (0.40) HTR3AKDM4EGAAMTNR1AMTNR1B
Fumaric Acid SCHEMBL8146156 0.71 HTR3A (0.40) HTR3AKDM4EGAAMTNR1AMTNR1B
SCHEMBL12582640 0.69 HTR3A (0.54) HTR3AKDM4EGAANAMPTMAPT
SCHEMBL5990554 0.69 KDM4E (0.34) HTR3AKDM4EMTNR1AMTNR1BNAMPT
SCHEMBL1964671 0.68 HTR3A (0.55) HTR3AKDM4EGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed