SCHEMBL9844732

SCHEMBL9844732

COc1ccc2c(c1)[C@@]1(C)Nc3ccccc3[C@H]1C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
ATM Q13315 1/20 0.39
NOX1 Q9Y5S8 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9844730 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9AHTR2A
SCHEMBL9844734 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9AHTR2A
SCHEMBL8946475 0.82 CYP3A4 (0.46) MEN1MAPK1KMT2A
SCHEMBL8946490 0.82 CYP3A4 (0.46) MEN1MAPK1KMT2A
SCHEMBL8946483 0.82 CYP3A4 (0.46) MEN1MAPK1KMT2A
SCHEMBL8946545 0.71 HTR2A (0.36) ALDH1A1HTR2AHTR2CHTR2BMEN1
SCHEMBL8946539 0.71 HTR2A (0.36) ALDH1A1HTR2AHTR2CHTR2BMEN1
SCHEMBL8946537 0.71 HTR2A (0.36) ALDH1A1HTR2AHTR2CHTR2BMEN1
SCHEMBL15888945 0.70 HTR2C (0.42) ALDH1A1MAPTNPC1RAB9AHTR2A
SCHEMBL8946673 0.70 HTR2A (0.40) ALDH1A1MAPTHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed