SCHEMBL31389179

SCHEMBL31389179

CN1C(=O)C(O)(c2cccs2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HCRTR1 O43613 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RAD52 P43351 1/20 0.46
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADAMTS5 Q9UNA0 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CBX7 O95931 2/20 0.39
CDY1; CDY1B Q9Y6F8 2/20 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
SCHEMBL31389174 0.76 RAB9A (0.58) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL15314930 0.75 RAB9A (0.53) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL15314955 0.75 RAB9A (0.53) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL4595977 0.74 SCN9A (0.68) MAPTALDH1A1
SCHEMBL25890238 0.71 RAD52 (0.55) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL24281120 0.71 RAB9A (0.49) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL31389172 0.70 RAD52 (0.51) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL28956007 0.69 RAD52 (0.50) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL24281266 0.69 SMN1; SMN2 (0.47) RAB9ARECQLSMN1; SMN2MAPTKDM4E
SCHEMBL7316770 0.69 PDK2 (0.43) ALDH1A1TDP1MEN1KMT2A

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
CN-119264032-A Preparation method of 3-hydroxy-2-indolone compound 苏州大学 2025-01-07 CN disclosed