SCHEMBL6556776

SCHEMBL6556776

COc1ccc(Sc2cccc(Cl)c2)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GFER P55789 1/20 0.56
AKR1C3 P42330 3/20 0.55
AKR1C2 P52895 3/20 0.55
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
FADS1 O60427 1/20 0.46
MAPT P10636 2/20 0.46
IDO1 P14902 1/20 0.45
SLC6A9 P48067 4/20 0.45
GAA P10253 1/20 0.44
GRIK1 P39086 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
EDNRA P25101 1/20 0.43
TUBB4A P04350 1/20 0.42

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
SCHEMBL16527555 0.82 IDO1 (0.51) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6556789 0.80 MEN1 (0.46) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL232529 0.79 MEN1 (0.53) MEN1KMT2AHPGDPOLBKDM4E
SCHEMBL11876679 0.78 SMN1; SMN2 (0.48) LMNAMEN1KMT2ASMN1; SMN2AKR1C3
SCHEMBL5030912 0.78 EDNRA (0.55) MEN1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL1041692 0.78 AKR1C3 (0.51) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL30407941 0.78 EDNRA (0.52) MEN1KMT2ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL4440732 0.77 KDM4E (0.57) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL11760014 0.77 IDO1 (0.51) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL823582 0.75 SMN1; SMN2 (0.57) LMNAMEN1KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1197491-B1 Thioxanthenone antitumor agents SANOFI AVENTIS (FR) 2004-12-29 EP disclosed
EP-0917458-B1 LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS SANOFI SYNTHELABO INC (US) 2003-04-02 EP disclosed
EP-0882723-B1 Thioxanthenone antitumor agents SANOFI SYNTHELABO (FR) 2002-07-31 EP disclosed
EP-1197491-A1 Thioxanthenone antitumor agents SANOFI-SYNTHELABO (FR) 2002-04-17 EP disclosed
EP-0619315-B1 Thioxanthenone antitumor agents SANOFI SA (FR) 1999-06-09 EP disclosed
EP-0917458-A1 LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS SANOFI (FR) 1999-05-26 EP disclosed
EP-0882723-A1 Thioxanthenone antitumor agents SANOFI (FR) 1998-12-09 EP disclosed
US-5665760-A Lyophilized thioxanthenone antitumor agents SANOFI WINTHROP, INC. (US) 1997-09-09 US disclosed
WO-1997010809-A1 LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS SANOFI (FR) 1997-03-27 WO disclosed
US-5380749-A Thioxanthenone antitumor agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0619315-A1 Thioxanthenone antitumor agents STERLING WINTHROP INC. (US) 1994-10-12 EP disclosed
US-5346917-A For mammals STERLING WINTHROP INC. (US) 1994-09-13 US disclosed
US-4539412-A ANTITUMOR AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 1985-09-03 US disclosed