SCHEMBL23421995

SCHEMBL23421995

COc1ccc(Br)nc1[N+](=O)[O-].COc1ccc([Si](C)(C)C)nc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
S1PR4 O95977 7/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL23421449 0.91 MAPT (0.47) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2986307 0.89 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31358001 0.89 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30365901 0.77 NPC1 (0.49) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10292640 0.72 S1PR4 (0.56) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL15529186 0.72 ALDH1A1 (0.47) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1812248 0.72 S1PR4 (0.52) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL187354 0.72 NPC1 (0.64) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10562972 0.72 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1810729 0.71 S1PR4 (0.51) MAPTHPGDNPC1RAB9ASMN1; SMN2

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
WO-2021106230-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2021-06-03 WO disclosed