SCHEMBL11326501

SCHEMBL11326501

CNC(=O)Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
CES1 P23141 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL11329811 0.81 SMN1; SMN2 (0.46) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11334025 0.81 POLB (0.55) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL27450016 0.79 MAPK1 (0.57) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11853887 0.79 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL28941770 0.79 CES1 (0.54) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1532181 0.77 TSHR (0.59) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL21445736 0.77 TDP1 (0.55) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11760276 0.77 MAPT (0.54) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL11659632 0.77 MEN1 (0.51) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11324917 0.77 KMT2A (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1

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
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US claimed
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed