SCHEMBL8150571

SCHEMBL8150571

CC1=C(C(=O)OCCS(C)(=O)=O)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HIF1A Q16665 1/20 0.32
APAF1 O14727 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8156114 0.85 CHRM2 (0.38) MAPTALDH1A1
SCHEMBL8153452 0.83 LMNA (0.32) HTTLMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL1388713 0.82 TDP1 (0.40) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8910755 0.82 TSHR (0.33) HTTLMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL8154324 0.81 LMNA (0.35) HTTLMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL8150139 0.79 RAB9A (0.33) HTTLMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL8910147 0.79 LMNA (0.31) HTTLMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL8155851 0.78 CHRNB2 (0.36) MAPTSMN1; SMN2
SCHEMBL8150388 0.78 LMNA (0.32) HTTLMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL9434967 0.78 MAPT (0.42) HTTLMNAMAPTSMN1; SMN2HSP90AA1

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 5 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
US-5852204-A Pyrrolo 3,2-b-!-carbazoles and 1H 1!benzothieno 2,3-f! indoles having anti-tumor activity UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-12-22 US disclosed
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed