SCHEMBL12849482

SCHEMBL12849482

CNCC1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
POLB P06746 3/20 0.64
USP2 O75604 3/20 0.64
TNNI3 P19429 1/20 0.64
TNNT2 P45379 1/20 0.64
TNNC1 P63316 1/20 0.64
MAPT P10636 3/20 0.57
S100A4 P26447 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.57
RECQL P46063 2/20 0.57
THRB P10828 1/20 0.57
GSTP1 P09211 2/20 0.46
GSTM2 P28161 2/20 0.46
CTSB P07858 2/20 0.45
IDO1 P14902 2/20 0.44
OPRK1 P41145 1/20 0.43
NAMPT P43490 1/20 0.43
MYC P01106 1/20 0.43

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
SCHEMBL12849477 0.86 MEN1 (0.67) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL17573922 0.81 MEN1 (0.60) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3500025 0.80 MEN1 (0.97) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3034016 0.80 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3037436 0.80 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL29155892 0.80 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL6391113 0.79 MEN1 (0.75) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL15101231 0.79 KMT2A (0.67) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3505138 0.79 MEN1 (1.00) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3502339 0.77 MEN1 (0.77) MEN1KMT2APOLBUSP2TNNI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011031330-A1 AUTOPHAGY AND PHOSPHOLIPIDOSIS PATHWAY ASSAYS ENZO LIFE SCIENCES, INC. (US) 2011-03-17 WO disclosed