SCHEMBL8150139

SCHEMBL8150139

CC1=C(C(=O)OCc2cccc(O)c2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 6/20 0.32
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HIF1A Q16665 1/20 0.32
MMP2 P08253 1/20 0.31

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
SCHEMBL1388713 0.92 TDP1 (0.40) RAB9ANPC1LMNAMAPTTDP1
SCHEMBL8148024 0.85 TDP2 (0.40) NPC1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL8911173 0.82 TDP1 (0.39) RAB9ANPC1LMNAMAPTTDP1
SCHEMBL8155106 0.82 MAOB (0.43) RAB9ALMNAMAPTTDP1KMT2A
SCHEMBL8909595 0.82 DHODH (0.38) RAB9ANPC1MAPTTDP1KMT2A
SCHEMBL8909720 0.82 DHODH (0.38) RAB9ANPC1LMNAMAPTTDP1
SCHEMBL8910758 0.82 DHODH (0.38) RAB9ANPC1LMNAMAPTTDP1
SCHEMBL8909629 0.79 CA12 (0.39) LMNAMAPTTDP1KMT2ASMN1; SMN2
SCHEMBL8153452 0.78 LMNA (0.32) LMNAMAPTSMN1; SMN2HTTHSP90AA1
SCHEMBL8150300 0.78 MAPK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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