SCHEMBL1647535

SCHEMBL1647535

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
JAK2 O60674 1/20 0.36
MITF O75030 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP14 P50281 1/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL1647534 0.77 MAPT (0.37) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL2231864 0.74 POLB (0.47) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL2231547 0.71 MAPT (0.48) MAPTALDH1A1KMT2AHTTJAK2
SCHEMBL942774 0.70 MAPT (0.52) MAPTALDH1A1KMT2AHTTJAK2
SCHEMBL942649 0.69 MAPT (0.45) MAPTALDH1A1LMNAHTTMMP14
SCHEMBL943658 0.69 MAPT (0.57) MAPTALDH1A1KMT2AHTTJAK2
SCHEMBL1645614 0.66 NPC1 (0.56) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL16730044 0.66 MAPT (0.58) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL2231651 0.65 MAPT (0.42) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL1993805 0.65 MAPT (0.45) MAPTALDH1A1KMT2AHTTJAK2

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