SCHEMBL30452655

SCHEMBL30452655

O=C(O)c1cc(N=Nc2ccc(CO)cc2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
BLVRB P30043 2/20 0.74
PDE4A P27815 1/20 0.74
KDR P35968 1/20 0.74
HTT P42858 1/20 0.74
TDP1 Q9NUW8 3/20 0.71
APP P05067 1/20 0.71
THRB P10828 1/20 0.71
RECQL P46063 1/20 0.71
BLM P54132 1/20 0.71
PHLPP2 Q6ZVD8 5/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP2C9 P11712 2/20 0.61
TSHR P16473 2/20 0.61
PTGS2 P35354 2/20 0.61
PTGS1 P23219 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL24212670 1.00 MEN1 (0.74) MEN1KMT2ABLVRBPDE4AKDR
SCHEMBL12374390 0.88 MEN1 (0.70) MEN1KMT2ABLVRBPDE4AKDR
Olsalazine SCHEMBL29378994 0.86 MEN1 (1.00) MEN1KMT2ABLVRBPDE4AKDR
Olsalazine SCHEMBL25119 0.86 MEN1 (1.00) MEN1KMT2ABLVRBPDE4AKDR
Olsalazine SCHEMBL2628413 0.86 MEN1 (1.00) MEN1KMT2ABLVRBPDE4AKDR
Olsalazine SCHEMBL25118 0.86 MEN1 (1.00) MEN1KMT2ABLVRBPDE4AKDR
Olsalazine SCHEMBL29385751 0.86 MEN1 (1.00) MEN1KMT2ABLVRBPDE4AKDR
Olsalazine SCHEMBL29861404 0.86 MEN1 (1.00) MEN1KMT2ABLVRBPDE4AKDR
SCHEMBL1636173 0.86 MEN1 (0.72) MEN1KMT2ABLVRBPDE4AKDR
SCHEMBL29376111 0.86 MEN1 (0.72) MEN1KMT2ABLVRBPDE4AKDR

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-116249533-A Intestinal tract cracking type co-drug and preparation and application thereof 轶诺(浙江)药业有限公司 2023-06-09 CN disclosed