SCHEMBL9051809

SCHEMBL9051809

CP(=O)(Oc1ccccc1[N+](=O)[O-])Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
TDP1 Q9NUW8 2/20 0.61
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
RECQL P46063 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 6/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 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
SCHEMBL2596731 0.87 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2596745 0.87 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL9051815 0.86 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL9051812 0.86 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL36924 0.85 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL307762 0.83 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL29981558 0.83 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL23683541 0.82 ALDH1A1 (0.62) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2474283 0.81 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL8085362 0.81 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
WO-1996041173-A1 NANOPARTICLES IMPRINTED WITH RECOGNITION SITES FOR TARGET MOLECULES MARTINEX R & D INC. (CA) 1996-12-19 WO disclosed