SCHEMBL22955262

SCHEMBL22955262

COc1cc(OCCBr)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 10/20 0.50
ALDH1A1 P00352 11/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 5/20 0.46
SIRT6 Q8N6T7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
ALPG P10696 1/20 0.42

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
SCHEMBL8789817 0.93 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6377931 0.87 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1697621 0.87 MAPT (0.67) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL657693 0.85 CHEK1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17197367 0.85 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2964413 0.85 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2976365 0.83 MAPT (0.50) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL224201 0.83 KMT2A (0.50) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1961769 0.83 CHRNB2 (0.57) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17197371 0.82 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NPC1RAB9AMAPT

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-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed