SCHEMBL23399397

SCHEMBL23399397

Cc1ccc(-n2nc(O)cc2-c2ccccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
FABP3 P05413 1/20 0.44
DCTPP1 Q9H773 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PPP1CA P62136 1/20 0.40
SLC5A1 P13866 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL23402508 0.91 FABP3 (0.51) KMT2AMEN1PTGS1PTGS2FABP3
SCHEMBL23399412 0.86 RPA1 (0.51) KMT2AMEN1PTGS1PTGS2FABP3
SCHEMBL23402387 0.85 RPA1 (0.51) KMT2AMEN1PTGS1PTGS2FABP3
SCHEMBL23403109 0.81 ALDH1A1 (0.49) KMT2AMEN1PTGS1PTGS2FABP3
SCHEMBL23399016 0.81 NPC1 (0.58) KMT2AMEN1PTGS1PTGS2SMN1; SMN2
SCHEMBL23401943 0.79 SMN1; SMN2 (0.55) KMT2AMEN1PTGS1PTGS2SMN1; SMN2
SCHEMBL23400981 0.78 NPC1 (0.58) KMT2AMEN1PTGS1SMN1; SMN2PPP1CA
SCHEMBL23398458 0.77 DCTPP1 (0.46) KMT2AMEN1FABP3DCTPP1SMN1; SMN2
SCHEMBL23400583 0.76 L3MBTL1 (0.54) KMT2AMEN1PTGS1PTGS2SMN1; SMN2
SCHEMBL23399008 0.76 ESRRA (0.43) KMT2AMEN1PTGS1PTGS2FABP3

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed