SCHEMBL8946739

SCHEMBL8946739

COc1cc(C)c2c(c1)C1C(N2)c2ccccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8946738 1.00 HTR2A (0.33) HTR2AHTTMAOAMEN1ALDH1A1
SCHEMBL8946736 1.00 HTR2A (0.33) HTR2AHTTMAOAMEN1ALDH1A1
SCHEMBL8946399 0.77 S100B (0.35) MEN1ALDH1A1MAPTKMT2A
SCHEMBL9018962 0.70 ATM (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8946658 0.70 ATM (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8946284 0.70 HTR2A (0.39) HTR2AHTTMAOAMEN1ALDH1A1
SCHEMBL8946281 0.70 HTR2A (0.39) HTR2AHTTMAOAMEN1ALDH1A1
SCHEMBL8946289 0.70 HTR2A (0.39) HTR2AHTTMAOAMEN1ALDH1A1
SCHEMBL8946663 0.70 ATM (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8946756 0.70 HTR2A (0.37) HTR2AMEN1KMT2A

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
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