SCHEMBL1126838

SCHEMBL1126838

COC(=O)Cn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPY2R P49146 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
PHGDH O43175 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
INSR P06213 1/20 0.32
IGF1R P08069 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
SCHEMBL1127059 0.91 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1128005 0.91 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1NPY2R
SCHEMBL1126825 0.89 LMNA (0.39) MAPTKMT2AMEN1ALDH1A1NPY2R
SCHEMBL1126371 0.88 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1NPY2R
SCHEMBL1127149 0.83 TSHR (0.40) MAPTKMT2AMEN1ALDH1A1ATM
SCHEMBL1126811 0.82 MAPT (0.36) MAPTATMPHGDHTP53KDM4E
SCHEMBL15161866 0.81 SMN1; SMN2 (0.37) MAPTKMT2AMEN1ALDH1A1NPY2R
SCHEMBL1998014 0.81 MEN1 (0.40) MAPTKMT2AMEN1ALDH1A1ATM
SCHEMBL1994652 0.81 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1NPY2R
SCHEMBL942787 0.81 PHGDH (0.36) MAPTKMT2AMEN1ALDH1A1NPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
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