SCHEMBL1647534

SCHEMBL1647534

CNC(=O)CC(c1cc(C)cc(C)n1)N(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 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
SCHEMBL1647535 0.77 MAPT (0.38) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2231864 0.70 POLB (0.47) MAPTALDH1A1POLBSMN1; SMN2CYP1A2
SCHEMBL942774 0.66 MAPT (0.52) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL2231547 0.65 MAPT (0.48) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL942649 0.65 MAPT (0.45) MAPTALDH1A1LMNAHTTL3MBTL1
SCHEMBL943658 0.64 MAPT (0.57) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL9189686 0.63 MAPT (0.50) MAPTALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL1644973 0.63 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2231651 0.63 MAPT (0.42) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL19833069 0.63 NPC1 (0.48) MAPTALDH1A1LMNAPOLBSMN1; SMN2

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-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed