SCHEMBL31358001

SCHEMBL31358001

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
S1PR4 O95977 7/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL2986307 1.00 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23421995 0.89 MAPT (0.42) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30365901 0.82 NPC1 (0.49) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL187354 0.80 NPC1 (0.64) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10562972 0.80 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29561268 0.78 NPC1 (0.45) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3663316 0.78 NPC1 (0.45) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10292640 0.78 S1PR4 (0.56) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL15529186 0.78 ALDH1A1 (0.47) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23421449 0.77 MAPT (0.47) 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-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed