SCHEMBL9051815

SCHEMBL9051815

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9051812 1.00 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL9051809 0.86 ALDH1A1 (0.61) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2474283 0.86 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL36925 0.86 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL30679480 0.86 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL36926 0.86 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2474284 0.86 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL23647344 0.84 ALDH1A1 (0.55) ALDH1A1TDP1RAB9ANPC1RECQL
Phosphoric Acid SCHEMBL8469920 0.84 ALDH1A1 (0.55) ALDH1A1TDP1RAB9ANPC1RECQL
Hydrochloric Acid SCHEMBL9614410 0.84 ALDH1A1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041173-A1 NANOPARTICLES IMPRINTED WITH RECOGNITION SITES FOR TARGET MOLECULES MARTINEX R & D INC. (CA) 1996-12-19 WO disclosed