SCHEMBL11259237

SCHEMBL11259237

CCOP(=S)(OCC)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 3/20 0.50
RECQL P46063 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 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
SCHEMBL11670654 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1CYP3A4TSHRHSD17B10
SCHEMBL3182861 0.83 CA1 (0.55) ALDH1A1MAPK1TDP1RAB9ARECQL
SCHEMBL4370481 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1CYP3A4HSD17B10TDP1
SCHEMBL2596731 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1TDP1RAB9ARECQL
SCHEMBL29776928 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1CYP3A4TSHRHSD17B10
SCHEMBL9367346 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1RAB9ARECQL
SCHEMBL27749820 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1HSD17B10TDP1RAB9A
SCHEMBL3921718 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1HSD17B10TDP1RAB9A
SCHEMBL1276317 0.76 RAB9A (0.45) ALDH1A1MAPK1TDP1RAB9ARECQL
SCHEMBL11804737 0.76 SMN1; SMN2 (0.45) ALDH1A1MAPK1TDP1RAB9ARECQL

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
US-4342176-A Unit dosage system for tree trunk implantation to control insect pests afflicting trees WOLFE WARREN D 1982-08-03 US disclosed