SCHEMBL28818013

SCHEMBL28818013

Cc1sc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(C(N)=O)c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
MAPT P10636 7/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
PKM P14618 1/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AIP O00170 1/20 0.50
SGTA O43765 1/20 0.50
TOMM70 O94826 1/20 0.50
STIP1 P31948 1/20 0.50
PPP5C P53041 1/20 0.50
FKBP4 Q02790 1/20 0.50
PPID Q08752 1/20 0.50
FKBP5 Q13451 1/20 0.50
FKBP8 Q14318 1/20 0.50
TOMM34 Q15785 1/20 0.50
DNAJC7 Q99615 1/20 0.50

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
SCHEMBL8289674 0.81 ALDH1A1 (0.80) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3914480 0.79 MAPT (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL681864 0.77 ALDH1A1 (0.80) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8288649 0.77 KMT2A (0.80) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8288773 0.75 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL2489815 0.72 POLB (0.62) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6435364 0.71 KMT2A (0.85) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL18177310 0.71 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3914440 0.70 MEN1 (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6472036 0.70 KMT2A (0.69) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104357545-B The medicine pocket of a kind of S adenosylmethionine decarboxylase and application thereof CHINA THREE GORGES UNIVERSITY (CN) 2016-06-01 CN claimed
CN-104357545-B The medicine pocket of a kind of S adenosylmethionine decarboxylase and application thereof CHINA THREE GORGES UNIVERSITY (CN) 2016-06-01 CN disclosed
CN-104357545-A Drug pocket of AdoMetDC (S-adenosylmethionine decarboxylase) and application of drug pocket UNIV CHINA THREE GORGES CTGU 2015-02-18 CN disclosed