SCHEMBL8147642

SCHEMBL8147642

CC1=C(C(=O)OC2CCN(C)CC2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SCN1A P35498 6/20 0.46
SCN2A Q99250 6/20 0.46
SCN3A Q9NY46 6/20 0.46
ATM Q13315 1/20 0.40
CHRM3 P20309 3/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
TLK2 Q86UE8 1/20 0.37

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
SCHEMBL8153428 0.90 TP53 (0.36) KMT2AMEN1SCN1ASCN2ASCN3A
SCHEMBL8149803 0.89 TP53 (0.37) KMT2AMEN1
SCHEMBL8146061 0.89 TP53 (0.37) KMT2AMEN1
SCHEMBL8141664 0.88 MEN1 (0.33) KMT2AMEN1SCN1ASCN2ASCN3A
SCHEMBL8147981 0.88 MEN1 (0.33) KMT2AMEN1SCN1ASCN2ASCN3A
SCHEMBL8147004 0.87 BCHE (0.42) KMT2AMEN1CHRM1
SCHEMBL8142163 0.87 CHRM3 (0.35) KMT2AMEN1SCN1ASCN2ASCN3A
SCHEMBL8141070 0.84 CHRNA7 (0.32)
SCHEMBL8141746 0.81 MEN1 (0.32) KMT2AMEN1
SCHEMBL8141718 0.81 MEN1 (0.32) KMT2AMEN1

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