SCHEMBL4554067

SCHEMBL4554067

Cc1nn(C)c(-c2cccc3ccccc23)c1/C=C/C=O.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
DHFR P00374 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
ERN1 O75460 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
SCHEMBL963049 0.87 ERN1 (0.42) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL963941 0.82 ALDH1A1 (0.51) HTR2CKDM4EMEN1KMT2AHCRTR1
SCHEMBL963943 0.82 ALDH1A1 (0.51) HTR2CKDM4EMEN1KMT2AHCRTR1
SCHEMBL964737 0.71 PPARG (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
Potassium Ion SCHEMBL967647 0.71 CNR2 (0.35) HTR2CALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4554402 0.69 GLS (0.37) GAAMAPTALDH1A1HPGDNPC1
SCHEMBL27793964 0.68 MEN1 (0.38) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL4553928 0.68 CA12 (0.35) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL964359 0.68 ERN1 (0.43) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL4554904 0.68 RAB9A (0.34) KDM4EMEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed