SCHEMBL28501875

SCHEMBL28501875

COC(=O)c1ccc(C(OS(C)(=O)=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
NR4A2 P43354 1/20 0.47
CREBBP Q92793 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MGAM O43451 4/20 0.45
GAA P10253 4/20 0.45
SI P14410 4/20 0.45
MGAM2 Q2M2H8 4/20 0.45
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28510174 0.86 NR4A2 (0.50) NR4A2MGAMGAASIMGAM2
SCHEMBL21383576 0.82 NR3C1 (0.58) RAB9ANR4A2CREBBPGPR84KMT2A
SCHEMBL17912674 0.81 NR4A2 (0.54) RAB9ANR4A2CREBBPGPR84KMT2A
SCHEMBL28516235 0.80 GUSB (0.45) GPR84KMT2AL3MBTL1MEN1MAPT
SCHEMBL21383594 0.78 HDAC3 (0.50) KMT2AL3MBTL1MGAMGAASI
SCHEMBL28885915 0.78 NR4A2 (0.50) RAB9ANR4A2CREBBPGPR84KMT2A
SCHEMBL4059622 0.75 KDM4E (0.53) KMT2AL3MBTL1GAAMEN1MAPT
SCHEMBL6215224 0.72 POLB (0.41) RAB9AKMT2AL3MBTL1GAAMEN1
SCHEMBL28507976 0.72 GUSB (0.47) KMT2AMGAMGAASIMGAM2
SCHEMBL6797310 0.72 ADORA2A (0.47) KMT2AMEN1MAPTMAPK1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218852-A Oxidized bis (3-indolyl) methane and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2021-01-12 CN claimed
CN-112218852-A Oxidized bis (3-indolyl) methane and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2021-01-12 CN disclosed