SCHEMBL23399294

SCHEMBL23399294

Cc1ccc(-c2c(O)cnn2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
COMT P21964 1/20 0.36
ESRRA P11474 1/20 0.36
ACHE P22303 1/20 0.34
PTGS2 P35354 2/20 0.34
CYP11B2 P19099 1/20 0.34
USP7 Q93009 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL23402261 0.82 HIF1A (0.42) PDE2APRMT5WDR77COMTKDM4E
SCHEMBL14996666 0.80 PDE2A (0.41) PDE2APRMT5WDR77CYP11B2NPC1
SCHEMBL23400529 0.79 PRMT5 (0.43) PRMT5WDR77COMTACHEKDM4E
SCHEMBL23398906 0.78 PTGS2 (0.50) PTGS2NPC1ALDH1A1MAPTRAB9A
SCHEMBL23398811 0.78 ESR1 (0.39) PDE2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11971246 0.77 PDE2A (0.39) PDE2APRMT5WDR77CYP11B2NPC1
SCHEMBL2522556 0.77 PRMT5 (0.41) PDE2APRMT5WDR77ACHEPTGS2
SCHEMBL23087698 0.77 NPC1 (0.41) PDE2APRMT5WDR77PTGS2CYP11B2
SCHEMBL23399203 0.77 HTR2B (0.41) COMTACHEPTGS2USP7KDM4E
SCHEMBL23402446 0.77 HPGD (0.35) COMTACHEPTGS2USP7KDM4E

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