SCHEMBL6182307

SCHEMBL6182307

C=C(Br)C(=O)Nc1ccc2c(c1)cc(C(=O)O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GPR35 Q9HC97 1/20 0.46
GFER P55789 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
PLA2G4A P47712 1/20 0.39
F11 P03951 1/20 0.38
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6176386 0.87 KDM4E (0.52) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27400764 0.77 MCL1 (0.57) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6965384 0.77 RAB9A (0.46) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3942262 0.76 KDM4E (0.52) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4015817 0.76 KDM4E (0.52) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4865021 0.75 KDM4E (0.48) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4192746 0.73 MEN1 (0.58) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12869805 0.73 KDM4E (0.48) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL418126 0.72 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6977455 0.72 HRAS (0.67) KDM4ETHRBRXFP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064281-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-25 EP disclosed
EP-0937070-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2003-12-03 EP disclosed
US-6458768-B1 ANTITUMOR AGENTS THAT CAN BE FORMULATED WITH A COMPOUND ALTERNATIVELY, CAN BE ADMINISTERED IN A MIXTURE OF DRUGS PHARMACIA & UPJOHN, S.P.A. (IT) 2002-10-01 US disclosed
EP-1064281-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-01-03 EP disclosed
US-6153642-A Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-28 US disclosed
WO-1999050266-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-07 WO disclosed
EP-0937070-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021202-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-05-22 WO disclosed