SCHEMBL31090337

SCHEMBL31090337

O=[N+]([O-])c1cnc(Sc2nnnn2-c2ccc3c(c2)OCCO3)s1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.66
MAPK9 P45984 2/20 0.66
MAPK10 P53779 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 7/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.42
ATM Q13315 1/20 0.40

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
SCHEMBL31090323 0.94 MAPK8 (0.58) MAPK8MAPK9MAPK10L3MBTL1GAA
SCHEMBL31090343 0.82 MAPK8 (0.66) MAPK8MAPK9MAPK10L3MBTL1RAB9A
SCHEMBL10082849 0.82 MAPK8 (0.70) MAPK8MAPK9MAPK10L3MBTL1RAB9A
SCHEMBL29404340 0.82 MAPK8 (0.70) MAPK8MAPK9MAPK10L3MBTL1RAB9A
SCHEMBL8045048 0.80 MAPT (0.47) MAPK8MAPK9MAPK10GAARAB9A
SCHEMBL8049908 0.80 ALDH1A1 (0.47) MAPK8MAPK9MAPK10GAARAB9A
SCHEMBL8034759 0.80 MAPT (0.47) MAPK8MAPK9MAPK10GAARAB9A
SCHEMBL8044886 0.80 MAPK8 (0.51) MAPK8MAPK9MAPK10GAARAB9A
SCHEMBL8046704 0.80 ALDH1A1 (0.60) MAPK8MAPK9MAPK10L3MBTL1GAA
SCHEMBL31090345 0.80 MAPK8 (0.73) MAPK8MAPK9MAPK10L3MBTL1RAB9A

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-2024187093-A1 ERK INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-09-12 WO disclosed