SCHEMBL2040069

SCHEMBL2040069

O=[N+]([O-])c1cccnc1C1OC=CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 5/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.40
PAX8 Q06710 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CTSB P07858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL1990688 0.82 CYP1A2 (0.49) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL8561631 0.72 PDE10A (0.46) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL29940575 0.70 PDE10A (0.60) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL6512953 0.70 PDE10A (0.60) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL8561865 0.70 MAPT (0.44) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL244559 0.69 HSP90AA1 (0.59) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL13093318 0.69 PDE10A (0.63) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL294121 0.69 PDE10A (0.58) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL29579675 0.69 PDE10A (0.58) PDE10APOLBCYP1A2CYP2C9ALDH1A1
SCHEMBL4714866 0.69 PDE10A (0.58) PDE10APOLBCYP1A2CYP2C9ALDH1A1

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-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed