SCHEMBL28529342

SCHEMBL28529342

[Li]c1ncccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
POLB P06746 1/20 0.55
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 3/20 0.46
PAX8 Q06710 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CTSB P07858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 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
SCHEMBL43627 0.79 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL29940575 0.78 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL6512953 0.78 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL4714866 0.77 PDE10A (0.58) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL294121 0.77 PDE10A (0.58) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL244559 0.77 HSP90AA1 (0.59) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL29579675 0.77 PDE10A (0.58) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL13093318 0.77 PDE10A (0.63) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL57910 0.75 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL75026 0.75 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513081-A Multispecific antibody constructs 生物蛋白有限公司 2021-03-16 CN disclosed