SCHEMBL9844735

SCHEMBL9844735

C[C@@]12Nc3ccccc3[C@@H]1Cc1ccccc12.Cc1cc2c(c(C)c1O)C[C@H]1c3cc(C(C)C)ccc3N[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KIF11 P52732 1/20 0.33

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
SCHEMBL8946466 0.82 HPGD (0.49) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946459 0.82 HPGD (0.49) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946463 0.82 HPGD (0.49) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946641 0.77 HPGD (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946633 0.77 HPGD (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946630 0.77 HPGD (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946338 0.75 AURKA (0.41) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946327 0.75 AURKA (0.41) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946332 0.75 AURKA (0.41) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946475 0.70 CYP3A4 (0.46) MAPK1

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