SCHEMBL9397168

SCHEMBL9397168

O=c1occc([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
S100A4 P26447 2/20 0.42
PTPRC P08575 1/20 0.42
MAOA P21397 1/20 0.40
FBP1 P09467 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CASP6 P55212 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
FASN P49327 1/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL28221727 0.77 TDP1 (0.63) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL25372606 0.73 LMNA (0.44) ALDH1A1PTPRCMAPTLMNAHTT
Ammonia Solution, Strong SCHEMBL27829594 0.72 LMNA (0.43) ALDH1A1PTPRCMAPTLMNAHTT
SCHEMBL3360865 0.71 TDP1 (0.46) ALDH1A1TDP1S100A4PTPRCMAPT
SCHEMBL9444834 0.70 TDP1 (0.71) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL29575337 0.70 TDP1 (0.71) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL19606518 0.70 TYMS (0.47) ALDH1A1TDP1S100A4PTPRCMAOA
SCHEMBL28988834 0.70 ALDH1A1 (0.50) ALDH1A1TDP1CRHBPCRHR2S100A4
Biphenyl SCHEMBL27480125 0.69 ALDH1A1 (0.71) ALDH1A1TDP1CRHBPCRHR2MAOA
SCHEMBL16919372 0.69 TDP1 (0.53) ALDH1A1TDP1CRHBPCRHR2S100A4

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