SCHEMBL8785232

SCHEMBL8785232

NC(=O)Oc1c(CO)no[n+]1[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TBXA2R P21731 1/20 0.35
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
ABCB1 P08183 2/20 0.31
ABCC1 P33527 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPN7 P35236 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL9272550 0.87 CA12 (0.37) CA12CA1CA2CA9TBXA2R
SCHEMBL9268296 0.85 CA12 (0.36) CA12CA1CA2CA9TBXA2R
SCHEMBL8785363 0.83 RAB9A (0.33) CA12CA1CA2CA9MAPT
SCHEMBL9271321 0.83 CA12 (0.35) CA12CA1CA2CA9TBXA2R
SCHEMBL8785818 0.82 GLA (0.38) CA12CA1CA2CA9TBXA2R
SCHEMBL8785216 0.81 CA12 (0.33) CA12CA1CA2CA9TBXA2R
SCHEMBL8787207 0.80 GLA (0.34) CA12CA1CA2CA9MAPT
SCHEMBL9269082 0.79 CA12 (0.33) CA12CA1CA2CA9TBXA2R
Hydrochloric Acid SCHEMBL9258721 0.77 TBXA2R (0.33) CA12CA1CA2CA9TBXA2R
SCHEMBL9272708 0.77 MAPT (0.33) CA12CA1CA2CA9TBXA2R

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 7 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 claimed
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 claimed
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 claimed
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-1995019355-A1 FURAZAN CARBOXYLIC ACID DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-20 WO 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