SCHEMBL5075152

SCHEMBL5075152

O=[N+]([O-])c1cccc2c1C=CN(Cc1ccccn1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
CTSB P07858 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 4/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CFTR P13569 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5081250 0.79 HRH1 (0.37) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL5139533 0.75 RAB9A (0.38) ALDH1A1KMT2ARAB9AMAPTLMNA
Bromide SCHEMBL11733192 0.74 SMN1; SMN2 (0.37) ALDH1A1KMT2AMEN1PKMRAB9A
SCHEMBL28393356 0.70 TDP1 (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL5077937 0.70 MAPT (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL5074722 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBPKM
Hydrochloric Acid SCHEMBL11734144 0.69 TDP1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5073994 0.67 LMNA (0.36) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL28298086 0.67 GPR35 (0.36) ALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL13075738 0.66 ALDH1A1 (0.55) ALDH1A1KDM4ECTSBKMT2AMEN1

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-2001474-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-17 EP disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed