SCHEMBL6913017

SCHEMBL6913017

CC(=O)C[S+]([O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
CES1 P23141 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOS1 P29475 2/20 0.42
GSK3B P49841 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL17550632 0.82 MAPT (0.48) MAPK1CES1POLBALDH1A1MAPT
SCHEMBL23732969 0.80 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2303355 0.78 MAPT (0.48) MAPK1CES1CA1CA2ACHE
SCHEMBL254515 0.78 ALDH1A1 (0.37) MAPK1CES1TDP1POLBGSK3B
SCHEMBL7382446 0.78 CA2 (0.36) CA1CA2ALDH1A1TSHRMAPT
SCHEMBL19381979 0.76 MAPK1 (0.46) MAPK1CES1CA1CA2TDP1
SCHEMBL3581283 0.75 TSHR (0.52) MAPK1CES1CA1CA2TDP1
SCHEMBL9163773 0.74 LOXL2 (0.44) CES1CA1CA2TDP1POLB
SCHEMBL8779823 0.74 LOXL2 (0.44) CES1CA1CA2TDP1ACHE
SCHEMBL7376074 0.74 CA1 (0.43) MAPK1CES1CA1CA2GSK3B

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-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed