SCHEMBL8787807

SCHEMBL8787807

NC(=O)Oc1no[n+]([O-])c1CO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABCB1 P08183 3/20 0.31
ABCC1 P33527 3/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TBXA2R P21731 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9267372 0.85 MAPT (0.33) MAPTGLACA12CA1CA2
SCHEMBL9272299 0.81 GLA (0.36) MAPTGLAALDH1A1ABCB1ABCC1
SCHEMBL8786155 0.81 GLA (0.40) MAPTGLAALDH1A1ABCB1ABCC1
SCHEMBL8786389 0.80 GLA (0.37) MAPTGLAABCB1ABCC1
SCHEMBL9271281 0.76 KDM4E (0.36) MAPTALDH1A1KDM4E
SCHEMBL27463748 0.75 ABCB1 (0.45) MAPTCA12CA1CA2CA9
SCHEMBL8785937 0.75 ALDH1A1 (0.34) GLAALDH1A1TDP1
SCHEMBL8785232 0.73 CA12 (0.37) MAPTGLACA12CA1CA2
SCHEMBL8936040 0.69 NPSR1 (0.42) MAPTGLAALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL8786011 0.69 ABCB1 (0.33) GLAABCB1ABCC1

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
EP-0687256-B1 HYDROXYMETHYL FURAZANE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIO-VASCULAR CONDITIONS HOECHST AG (DE) 1997-09-03 EP disclosed
EP-0687256-A1 HYDROXYMETHYL FURAZANE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIO-VASCULAR CONDITIONS HOECHST AG (DE) 1995-12-20 EP disclosed
WO-1994020478-A1 HYDROXYMETHYL FURAZANE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIO-VASCULAR CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-15 WO disclosed