SCHEMBL9397164

SCHEMBL9397164

O=c1occcc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 2/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
F2 P00734 1/20 0.47
C1R P00736 1/20 0.47
PTPN1 P18031 1/20 0.46
S100A4 P26447 2/20 0.46
PTPRC P08575 1/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL3360865 0.83 TDP1 (0.46) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL30535903 0.80 ALDH1A1 (0.74) ALDH1A1TDP1KMT2AMEN1PTPN1
SCHEMBL1287837 0.80 ALDH1A1 (0.74) ALDH1A1TDP1KMT2AMEN1PTPN1
SCHEMBL5557695 0.80 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL30987815 0.78 ALDH1A1 (0.71) ALDH1A1TDP1KMT2AMEN1PTPN1
Ammonia Solution, Strong SCHEMBL9060371 0.78 ALDH1A1 (0.71) ALDH1A1TDP1MAOBKMT2AMEN1
SCHEMBL29337140 0.78 ALDH1A1 (0.71) ALDH1A1TDP1KMT2AMEN1PTPN1
SCHEMBL9017956 0.74 ALDH1A1 (0.50) ALDH1A1TDP1MAOBKMT2AMAPT
SCHEMBL30798624 0.73 ALDH1A1 (0.59) ALDH1A1TDP1MAOBKMT2AMAPT
SCHEMBL944371 0.73 ALDH1A1 (0.59) ALDH1A1TDP1MAOBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250566-A Using nitrophenyl pyrones derived from streptomyces BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1993-10-05 US claimed
US-5236949-A Exposing to nitrophenyl pyrone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1993-08-17 US claimed
WO-1993012656-A1 METHOD FOR CONTROLLING INSECTS MICHIGAN STATE UNIVERSITY (US) 1993-07-08 WO claimed
US-5360918-A Griseulin; larvicides, nematocides; mosquitoes BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1994-11-01 US disclosed
US-5310754-A Nirtophenyl pyrones; nemetocides; effective against mosquito larvae BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1994-05-10 US disclosed
US-5250566-A Using nitrophenyl pyrones derived from streptomyces BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1993-10-05 US disclosed
US-5236949-A Exposing to nitrophenyl pyrone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1993-08-17 US disclosed
WO-1993012656-A1 METHOD FOR CONTROLLING INSECTS MICHIGAN STATE UNIVERSITY (US) 1993-07-08 WO disclosed