SCHEMBL5073994

SCHEMBL5073994

O=[N+]([O-])c1cccc2c1C=CN(C1CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ACHE P22303 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL5074055 0.80 CHRM2 (0.38) LMNA
SCHEMBL28393356 0.78 TDP1 (0.39) LMNAACHETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL11734144 0.77 TDP1 (0.41) LMNAACHETDP1MEN1KMT2A
SCHEMBL5139533 0.72 RAB9A (0.38) LMNAACHETDP1KMT2AGPR35
SCHEMBL28298086 0.71 GPR35 (0.36) LMNAACHETDP1GPR35ALDH1A1
Bromide SCHEMBL11733192 0.71 SMN1; SMN2 (0.37) LMNAACHETDP1MEN1KMT2A
SCHEMBL5509835 0.69 ALDH1A1 (0.37) LMNAACHETDP1GPR35ALDH1A1
SCHEMBL20120194 0.69 TDP1 (0.42) ACHETDP1KMT2AGPR35ALDH1A1
SCHEMBL29800757 0.69 TDP1 (0.39) LMNAACHETDP1MEN1KMT2A
SCHEMBL26964204 0.69 TDP1 (0.39) LMNAACHETDP1MEN1KMT2A

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