SCHEMBL11548366

SCHEMBL11548366

COc1ccc(Nn2cccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 4/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 2/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL11547754 0.94 RAB9A (0.63) MAPTGAARAB9AKDM4ETDP1
SCHEMBL11413768 0.82 PDE5A (0.34) TDP1MAPK1L3MBTL1ALDH1A1CYP1A2
SCHEMBL11548693 0.76 TSHR (0.46) MAPTGAATHRBRECQLCA1
SCHEMBL626632 0.72 ALDH1A1 (0.43) MAPTGAATDP1MAPK1NPSR1
SCHEMBL28831642 0.71 MAPT (0.52) MAPTGAARAB9AKDM4ETDP1
SCHEMBL11547917 0.70 ALDH1A1 (0.59) MAPTGAAKDM4ETDP1THRB
SCHEMBL1459772 0.69 MAPT (1.00) MAPTGAARAB9AKDM4ETDP1
SCHEMBL39057 0.69 MAPT (1.00) MAPTGAARAB9AKDM4ETDP1
SCHEMBL851498 0.69 RAB9A (0.70) MAPTGAARAB9AKDM4ETDP1
1,4-Dimethoxybenzene SCHEMBL21802643 0.68 CA1 (1.00) MAPTGAARAB9AKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989066-B Preparation method of indomethacin 暨明医药科技(苏州)有限公司 2023-11-10 CN disclosed
CN-114989066-A Preparation method of indometacin 暨明医药科技(苏州)有限公司 2022-09-02 CN disclosed
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 US disclosed