SCHEMBL8946565

SCHEMBL8946565

COc1ccc2c(c1)[C@@H]1Cc3c(cc(C)c(OC)c3C)[C@@H]1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
PTPN7 P35236 1/20 0.37
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL8946568 1.00 MAPT (0.37) MAPTTDP1L3MBTL1HSPA1APTPN7
SCHEMBL8946573 1.00 MAPT (0.37) MAPTTDP1L3MBTL1HSPA1APTPN7
SCHEMBL8946430 0.85 AURKA (0.42) MAPTL3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL8946425 0.85 AURKA (0.42) MAPTL3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL8946422 0.85 AURKA (0.42) MAPTL3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL8946958 0.85 HPGD (0.45) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL8946482 0.85 HPGD (0.45) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL8946962 0.85 HPGD (0.45) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL8946368 0.73 MAPT (0.52) MAPTTDP1L3MBTL1ALDH1A1HTT
SCHEMBL8946374 0.73 MAPT (0.52) MAPTTDP1L3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed