SCHEMBL5077937

SCHEMBL5077937

O=[N+]([O-])c1cccc2c1C=CN(c1cccnc1F)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PDE10A Q9Y233 1/20 0.38
MAPK1 P28482 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 4/20 0.37
LMNA P02545 3/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
RECQL P46063 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL5074722 0.86 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1PDE10ACYP1A2
SCHEMBL15173231 0.76 MAPT (0.41) MAPTALDH1A1L3MBTL1MAPK1CYP1A2
SCHEMBL16097654 0.72 PDE10A (0.38) MAPTALDH1A1L3MBTL1PDE10AMAPK1
Hydrochloric Acid SCHEMBL11734144 0.72 TDP1 (0.41) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL28393356 0.70 TDP1 (0.39) MAPTALDH1A1LMNAKDM4ETDP1
SCHEMBL5075152 0.70 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1PDE10AMAPK1
SCHEMBL15173205 0.70 MAPT (0.46) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL29508937 0.69 PDE10A (0.56) MAPTALDH1A1L3MBTL1PDE10AMAPK1
SCHEMBL251800 0.69 PDE10A (0.56) MAPTALDH1A1L3MBTL1PDE10AMAPK1
SCHEMBL29077094 0.68 KMT2A (0.41) MAPTALDH1A1L3MBTL1MAPK1LMNA

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-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed