SCHEMBL8147658

SCHEMBL8147658

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR52 Q9Y2T5 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MMP13 P45452 1/20 0.33
PDE5A O76074 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL9048962 0.95 PDCD1 (0.34) PDCD1CD274ALDH1A1HTTHPGD
SCHEMBL8149445 0.91 TERT (0.36) CD274SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8149439 0.90 CYP1A2 (0.38) PDCD1CD274ALDH1A1SMN1; SMN2MAPT
SCHEMBL8154329 0.90 KMT2A (0.31) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8910714 0.89 ALDH1A1 (0.34) ALDH1A1HTTHPGDSMN1; SMN2KDM4E
SCHEMBL8146941 0.89 GRIN1 (0.39) HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL8536552 0.86 GAA (0.32) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL8142555 0.83 NPC1 (0.40) KMT2APOLBABL1
SCHEMBL8909578 0.82 HPGD (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL8910392 0.81 CCNB2 (0.32) HTTMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013807-A Antitumor tetracyclic compounds UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-01-11 US claimed
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
US-5770598-A ANTITUMOR AGENTS; REACTING WITH CARBONYL DIIMIDAZOLE AND AMIDOXIMES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-06-23 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