SCHEMBL23399875

SCHEMBL23399875

COc1ccc(-n2nc(-c3ccccc3)c(O)c2-c2cccc(C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
RPA1 P27694 1/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.45
DPP4 P27487 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CCKAR P32238 3/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE5A O76074 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL23402686 0.94 CCKAR (0.48) MAPTLMNANPSR1RAB9ATSHR
SCHEMBL23402862 0.89 KMT2A (0.49) MAPTRPA1LMNARAB9AL3MBTL1
SCHEMBL23399774 0.89 NPC1 (0.51) MAPTRPA1LMNARAB9AL3MBTL1
SCHEMBL23400566 0.89 RPA1 (0.50) MAPTRPA1LMNANPSR1RAB9A
SCHEMBL23398791 0.88 ALDH1A1 (0.48) MAPTRPA1LMNANPSR1RAB9A
SCHEMBL23398801 0.88 ALDH1A1 (0.48) MAPTRPA1LMNANPSR1RAB9A
SCHEMBL23398374 0.86 RAB9A (0.51) MAPTRPA1LMNANPSR1RAB9A
SCHEMBL23400235 0.85 NPC1 (0.48) MAPTRPA1LMNARAB9AL3MBTL1
SCHEMBL23399208 0.85 KMT2A (0.50) MAPTLMNANPSR1RAB9ATSHR
SCHEMBL23399901 0.85 RPA1 (0.50) MAPTRPA1LMNARAB9AL3MBTL1

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