SCHEMBL8977462

SCHEMBL8977462

COC(Nc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
MAPT P10636 6/20 0.55
MAPK1 P28482 4/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NLRP1 Q9C000 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
HTT P42858 4/20 0.54
POLB P06746 3/20 0.54
DDX3X O00571 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
LMNA P02545 2/20 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
SCHEMBL15994785 0.81 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9706333 0.81 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL10523672 0.80 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11198274 0.79 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11198273 0.79 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL8549299 0.78 CA12 (0.58) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6920322 0.78 CA12 (0.58) ALDH1A1MEN1KMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL10523487 0.78 KMT2A (0.55) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1678531 0.78 CA12 (0.55) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1816769 0.77 TDP1 (0.45) ALDH1A1MEN1KMT2AMAPTMAPK1

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-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US disclosed
US-5430175-A Caged carboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-04 US disclosed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 WO disclosed