SCHEMBL1127059

SCHEMBL1127059

COC(=O)Cn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
LMNA P02545 5/20 0.36
KDM4E B2RXH2 3/20 0.36
PHGDH O43175 2/20 0.35
GBA1 P04062 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 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
SCHEMBL1126838 0.91 MAPT (0.38) MAPTLMNAKDM4EPHGDHTSHR
SCHEMBL1126811 0.91 MAPT (0.36) MAPTLMNAKDM4EPHGDHGBA1
SCHEMBL1126825 0.89 LMNA (0.39) MAPTLMNAKDM4EPOLBTSHR
SCHEMBL1993622 0.85 MAPT (0.37) MAPTLMNAKDM4EPHGDHGBA1
SCHEMBL1127149 0.83 TSHR (0.40) MAPTLMNAKDM4ETSHRMAPK1
SCHEMBL1128005 0.82 MAPT (0.36) MAPTPHGDHMEN1KMT2AALDH1A1
SCHEMBL15161866 0.81 SMN1; SMN2 (0.37) MAPTLMNAKDM4EPOLBTSHR
SCHEMBL1998014 0.81 MEN1 (0.40) MAPTLMNAKDM4EPOLBTSHR
SCHEMBL1126741 0.80 LMNA (0.39) MAPTLMNAKDM4EPOLBTSHR
SCHEMBL1126552 0.79 MAPT (0.39) MAPTLMNAKDM4EPOLBTSHR

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