SCHEMBL861206

SCHEMBL861206

Cc1cc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
CYP1A2 P05177 1/20 0.67
ALOX15 P16050 1/20 0.67
F12 P00748 7/20 0.53
KMT2A Q03164 4/20 0.51
GBA1 P04062 2/20 0.51
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
F11 P03951 1/20 0.47
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
POLB P06746 2/20 0.45
CA12 O43570 2/20 0.45

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
SCHEMBL10442289 0.84 KMT2A (0.65) ALDH1A1HPGDHSD17B10CYP1A2ALOX15
Hydrochloric Acid SCHEMBL31460267 0.84 KMT2A (0.63) ALDH1A1HPGDHSD17B10CYP1A2ALOX15
SCHEMBL289400 0.81 KDM4E (0.67) ALDH1A1HPGDHSD17B10KMT2AF2
Hydrochloric Acid SCHEMBL31460331 0.81 CA9 (0.63) F12KMT2AGBA1MEN1POLB
Hydrochloric Acid SCHEMBL7641797 0.80 KDM4E (0.65) ALDH1A1HPGDHSD17B10KMT2AF2
Hydrochloric Acid SCHEMBL381749 0.79 KDM4E (0.64) ALDH1A1HPGDHSD17B10KMT2AF2
Nafamostat SCHEMBL135503 0.77 PRSS1 (0.64) ALDH1A1F12F2F10PLG
Nafamostat SCHEMBL29429445 0.77 PRSS1 (0.64) ALDH1A1F12F2F10PLG
Nafamostat SCHEMBL29429443 0.77 PRSS1 (0.64) ALDH1A1F12F2F10PLG
Nafamostat SCHEMBL16069975 0.77 PRSS1 (0.64) ALDH1A1F12F2F10PLG

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
EP-2433642-A2 Modified proteases that inhibit complement activation Catalyst Biosciences, Inc. (US) 2012-03-28 EP disclosed