SCHEMBL8150574

SCHEMBL8150574

CC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(=O)OCCS(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL8150303 0.86 MAPT (0.41) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8153451 0.83
SCHEMBL9435000 0.82 MAPT (0.32) MAPT
SCHEMBL8155848 0.79 PDE1C (0.36) MAPTSMN1; SMN2
SCHEMBL9435018 0.77
SCHEMBL8148021 0.75 ESR1 (0.38) MAPT
SCHEMBL8146059 0.75 TP53 (0.35)
SCHEMBL8141067 0.74
SCHEMBL8147980 0.74
SCHEMBL9434368 0.73 SMN1; SMN2 (0.36) LMNAHSP90AA1MAPTHTTSMN1; SMN2

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-0741729-A1 ANTITUMOUR TETRACYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-11-13 EP claimed
WO-1995021170-A1 ANTITUMOUR TETRACYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-10 WO claimed
US-6013807-A Antitumor tetracyclic compounds UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-01-11 US disclosed