SCHEMBL28260357

SCHEMBL28260357

O=C(c1ccco1)c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
MAPT P10636 7/20 0.61
ALDH1A1 P00352 6/20 0.61
NPC1 O15118 6/20 0.61
LMNA P02545 6/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 8/20 0.56
HPGD P15428 3/20 0.56
TSHR P16473 3/20 0.53
ATM Q13315 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PSMD14 O00487 1/20 0.51

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
SCHEMBL6319718 0.82 ALDH1A1 (0.66) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL11303605 0.78 MAPT (0.56) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL687453 0.76 MAPT (1.00) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL687001 0.76 MAPT (1.00) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL24751 0.76 HSD17B1 (0.62) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL900561 0.75 NPC1 (0.64) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL3049831 0.75 RAB9A (0.77) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL686945 0.75 MAPT (0.75) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL686944 0.75 MAPT (0.75) RAB9AMAPTALDH1A1NPC1LMNA
SCHEMBL687737 0.75 MAPT (0.66) RAB9AMAPTALDH1A1NPC1LMNA

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-108906053-B Hydrophobic hydrotalcite loaded bimetallic catalyst and oxidation catalysis application thereof 中国科学院兰州化学物理研究所苏州研究院 2020-11-03 CN disclosed
CN-108906053-A Hydrophobic water talcum supported bimetal catalyst and its oxidation catalysis application 中国科学院兰州化学物理研究所苏州研究院 2018-11-30 CN disclosed