SCHEMBL8712545

SCHEMBL8712545

CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2nc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 2/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.46
CNR1 P21554 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL8711984 0.91 ALDH1A1 (0.55) RXFP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8713847 0.88 PRKDC (0.48) RXFP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27512307 0.74 ALDH1A1 (0.60) RXFP1KDM4EALDH1A1L3MBTL1ALOX15
SCHEMBL8711799 0.72 CYP19A1 (0.48) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL7315229 0.71 RXFP1 (0.69) RXFP1KDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL26352438 0.70 POLB (0.51) KDM4EALDH1A1L3MBTL1HSD17B10TSHR
SCHEMBL5409829 0.69 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30634404 0.69 ALOX15 (0.50) RXFP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8388243 0.69 TSHR (0.54) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL2214591 0.68 GAA (0.50) KDM4EALDH1A1HPGDL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842176-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-20 EP claimed
WO-1997005137-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO claimed
EP-0842176-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-20 EP disclosed
WO-1997005137-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed