SCHEMBL24326472

SCHEMBL24326472

O=[N+]([O-])c1ccccc1SN1CCCN(Sc2ccccc2[N+](=O)[O-])CC(O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 4/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE7A Q13946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4A O75164 1/20 0.39
TDP2 O95551 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CRBN Q96SW2 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL24326409 0.84 MAPT (0.43) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL18581317 0.84 MAPT (0.74) MAPTPKMALDH1A1CA12CA9
SCHEMBL21036540 0.76 MAPT (0.56) MAPTPKMALDH1A1CA12CA9
SCHEMBL10372847 0.74 MAPT (0.68) MAPTPKMALDH1A1CA12CA9
SCHEMBL21613821 0.74 MAPT (0.68) MAPTPKMALDH1A1CA12CA9
SCHEMBL10373205 0.73 MAPT (0.63) MAPTPKMALDH1A1CA12CA9
SCHEMBL19917852 0.72 MAPT (0.54) MAPTPKMALDH1A1CA12CA9
SCHEMBL4697192 0.71 GAA (0.46) MAPTPKMALDH1A1CA12CA9
SCHEMBL20683509 0.70 MAPT (0.46) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL19159541 0.70 MAPT (0.59) MAPTPKMALDH1A1CA12CA9

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-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed