SCHEMBL24281187

SCHEMBL24281187

CN1C(=O)C(O)(CC(O)c2ccccc2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.72
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
CBX7 O95931 2/20 0.48
CDY1; CDY1B Q9Y6F8 2/20 0.48
MAPK1 P28482 2/20 0.48
CDYL2 Q8N8U2 1/20 0.48
CDYL Q9Y232 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
NQO1 P15559 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL18415222 0.84 RAD52 (1.00) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL25890248 0.77 RAD52 (0.68) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL3201165 0.77 ALDH1A1 (0.65) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL24195289 0.75 RAD52 (0.67) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL29044109 0.74 ALDH1A1 (0.50) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL28705162 0.74 TP53 (0.55) RAD52ALDH1A1LMNAHPGDMAPK1
SCHEMBL28449922 0.73 ALDH1A1 (0.81) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL29044123 0.72 ALDH1A1 (0.51) RAD52ALDH1A1LMNAHPGDMAPK1
SCHEMBL38659116 0.71 RAD52 (0.59) RAD52ALDH1A1TSHRRAB9ALMNA
SCHEMBL16377147 0.71 RAD52 (0.63) RAD52ALDH1A1TSHRRAB9ALMNA

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-2022071484-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2022-04-07 WO disclosed