SCHEMBL1127154

SCHEMBL1127154

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4[nH]c(CC(C)Oc5ccccc5)cc4-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 7/20 0.35
MAPK1 P28482 3/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PHGDH O43175 3/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.34
ESR2 Q92731 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL1126906 0.88 GAA (0.35) LMNAUSP2MAPTMAPK1ALDH1A1
SCHEMBL1987967 0.84 MAPT (0.41) LMNAUSP2MAPTMAPK1ALDH1A1
SCHEMBL1127435 0.78 MAPT (0.40) LMNAUSP2MAPTMAPK1HTT
SCHEMBL1126647 0.77 MAPT (0.40) LMNAUSP2MAPTMAPK1ALDH1A1
SCHEMBL1126935 0.76 GRIN2D (0.41) LMNAUSP2MAPTMAPK1ALDH1A1
SCHEMBL1127284 0.76 MAPT (0.42) LMNAUSP2MAPTMAPK1HTT
SCHEMBL30234731 0.76 MAPT (0.42) LMNAUSP2MAPTMAPK1HTT
SCHEMBL1127230 0.76 LMNA (0.40) LMNAUSP2MAPTMAPK1HTT
SCHEMBL1127162 0.76 MAPT (0.41) LMNAUSP2MAPTMAPK1HTT
SCHEMBL1126481 0.76 KCNA5 (0.41) LMNAUSP2MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed