SCHEMBL1127595

SCHEMBL1127595

CCOCCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 4/20 0.36
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1126938 0.94 KDM4E (0.43) KDM4ESMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1126775 0.88 ALDH1A1 (0.40) KDM4EKMT2AGLAALDH1A1L3MBTL1
SCHEMBL1127235 0.86 THRB (0.37) KDM4ESMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1127423 0.86 TSHR (0.39) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1127780 0.85 KDM4E (0.39) KDM4EKMT2AALDH1A1L3MBTL1GAA
SCHEMBL1127378 0.84 HPGD (0.41) SMN1; SMN2MAPTTSHRALDH1A1GAA
SCHEMBL16588841 0.84 MEN1 (0.37) KDM4ESMN1; SMN2MEN1KMT2AGLA
SCHEMBL1127195 0.84 RARB (0.39) KDM4ETSHRL3MBTL1GAA
SCHEMBL15161860 0.83 LMNA (0.44) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23488097 0.81 THRB (0.40) KDM4ESMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed