SCHEMBL8946907

SCHEMBL8946907

CN1c2ccccc2[C@]2(C)Cc3ccccc3[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL8946917 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EATMTP53LMNA
SCHEMBL8946913 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EATMTP53LMNA
SCHEMBL8946423 0.85 BACE1 (0.36) ALDH1A1KDM4EATMTP53GAA
SCHEMBL8946415 0.85 BACE1 (0.36) ALDH1A1KDM4EATMTP53GAA
SCHEMBL8946412 0.85 BACE1 (0.36) ALDH1A1KDM4EATMTP53GAA
SCHEMBL8946372 0.78 MEN1 (0.49) ALDH1A1TP53LMNAGAAMAPT
SCHEMBL8946379 0.78 MEN1 (0.49) ALDH1A1TP53LMNAGAAMAPT
SCHEMBL8946367 0.78 MEN1 (0.49) ALDH1A1TP53LMNAGAAMAPT
SCHEMBL8946511 0.74 ALDH1A1 (0.35) ALDH1A1TP53MAPTSIGMAR1
SCHEMBL8946505 0.74 ALDH1A1 (0.35) ALDH1A1TP53MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 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