SCHEMBL1128062

SCHEMBL1128062

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)c(Cl)c3)CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 2/20 0.35
KIT P10721 2/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
CACNA1G O43497 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
LCK P06239 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
ALK Q9UM73 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
GRM1 Q13255 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
SCHEMBL1126898 0.87 TRPV1 (0.41) MALT1MAPTALDH1A1TP53KIT
SCHEMBL1126371 0.81 MAPT (0.39) NPY2RMAPTALDH1A1KMT2AMEN1
SCHEMBL1126932 0.78 MAPT (0.38) MALT1MAPTALDH1A1KITPDGFRA
SCHEMBL1127445 0.78 TRPV1 (0.39) MALT1MAPTALDH1A1KMT2AMEN1
SCHEMBL1126527 0.77 MAPT (0.37) MAPTALDH1A1LMNA
SCHEMBL1127448 0.76 ALDH1A1 (0.39) NPY2RMALT1MAPTALDH1A1KMT2A
SCHEMBL1127042 0.76 POLB (0.45) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL30234914 0.76 POLB (0.45) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL1127185 0.75 MALT1 (0.37) NPY2RMALT1MAPTALDH1A1KMT2A
SCHEMBL1127265 0.75 KDR (0.37) MALT1MAPTALDH1A1KMT2AKDR

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 disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed