SCHEMBL28028950

SCHEMBL28028950

O=[N+]([O-])c1cccc2cn(Nc3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.61
NOS2 P35228 2/20 0.61
PDE10A Q9Y233 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MYC P01106 1/20 0.40
IDO1 P14902 1/20 0.40
MAOA P21397 1/20 0.39
GSK3B P49841 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CXCR2 P25025 2/20 0.37
PIN1 Q13526 1/20 0.37
CXCR1 P25024 1/20 0.37

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
SCHEMBL28481877 0.82 NOS1 (0.53) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL579924 0.76 NOS1 (1.00) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL19028888 0.74 NOS1 (0.69) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL28089032 0.73 NOS1 (0.67) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL25251690 0.72 NOS1 (0.57) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL4315825 0.69 NOS1 (0.60) NOS1NOS2PDE10AMEN1KMT2A
Hydrochloric Acid SCHEMBL9122404 0.68 NOS1 (0.58) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL18414154 0.67 NOS1 (0.50) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL16799953 0.66 PARP1 (0.49) NOS1NOS2PDE10AMEN1KMT2A
SCHEMBL11326420 0.65 PDE10A (0.61) NOS1NOS2PDE10AMEN1KMT2A

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-104869987-A Methods and compositions for regenerating hair cells and/or supporting cells MASSACHUSETTS EYE & EAR INFIRM 2015-08-26 CN disclosed