SCHEMBL8149803

SCHEMBL8149803

CC1=C(C(=O)OC2CCCCC2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
STS P08842 3/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8146061 1.00 TP53 (0.37) TP53RXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL8153428 0.99 TP53 (0.36) TP53RXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL8141664 0.91 MEN1 (0.33) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL8147981 0.91 MEN1 (0.33) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL8142163 0.90 CHRM3 (0.35) MEN1KMT2A
SCHEMBL8147642 0.89 KMT2A (0.48) MEN1KMT2A
SCHEMBL8141070 0.87 CHRNA7 (0.32)
SCHEMBL8155851 0.85 CHRNB2 (0.36) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8141746 0.84 MEN1 (0.32) MAPTMEN1KMT2A
SCHEMBL8141718 0.84 MEN1 (0.32) MAPTMEN1KMT2A

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 6 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
EP-0741729-A1 ANTITUMOUR TETRACYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-11-13 EP disclosed
WO-1995021170-A1 ANTITUMOUR TETRACYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-10 WO disclosed