SCHEMBL1127149

SCHEMBL1127149

CCOC(=O)Cn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1126825 0.94 LMNA (0.39) TSHRALDH1A1MEN1KMT2AATM
SCHEMBL1998014 0.91 MEN1 (0.40) TSHRALDH1A1MEN1KMT2AATM
SCHEMBL15161866 0.91 SMN1; SMN2 (0.37) TSHRALDH1A1MEN1KMT2AATM
SCHEMBL1126552 0.90 MAPT (0.39) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1126636 0.90 GRIN2D (0.38) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1126732 0.89 MAPT (0.38) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1127558 0.89 ALDH1A1 (0.37) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1126935 0.88 GRIN2D (0.41) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1126741 0.88 LMNA (0.39) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL1126434 0.88 MAPT (0.39) TSHRALDH1A1MEN1KMT2AATM

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