SCHEMBL28228342

SCHEMBL28228342

O=C(Cl)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 7/20 0.48
NPC1 O15118 2/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSP90AA1 P07900 3/20 0.45
CTSB P07858 2/20 0.45
OPRK1 P41145 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
NCOA1 Q15788 1/20 0.45

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
SCHEMBL305884 0.85 PDE10A (0.53) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL1232905 0.84 KDM4E (0.54) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL3381186 0.82 ALDH1A1 (0.51) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL8565503 0.82 PDE10A (0.50) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL27344307 0.81 PDE10A (0.50) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL7049057 0.79 ALDH1A1 (0.49) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL29028896 0.79 ALDH1A1 (0.60) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL6448689 0.79 PDE10A (0.50) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL24377212 0.78 CTSD (0.57) PDE10APOLBALDH1A1NPC1MEN1
SCHEMBL11724759 0.78 ALDH1A1 (0.48) PDE10APOLBALDH1A1NPC1MEN1

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-108276382-A Cell cycle protein dependent kinase inhibitor and its application 南京圣和药业股份有限公司 2018-07-13 CN disclosed