SCHEMBL23399250

SCHEMBL23399250

CCCCc1nn(C)c(-c2cccc(C)c2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
NMT1 P30419 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HSD11B1 P28845 1/20 0.36
TDP2 O95551 1/20 0.36
TGFBR1 P36897 1/20 0.36
ICMT O60725 3/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL23401262 0.92 RAB9A (0.46) TP53TLR8KDM4EMAPTTHRB
SCHEMBL23403677 0.90 TP53 (0.47) TP53TLR8KDM4EMAPTTHRB
SCHEMBL23400399 0.90 TP53 (0.47) TP53TLR8KDM4EMAPTTHRB
SCHEMBL23403165 0.87 TP53 (0.44) TP53TLR8KDM4EMAPTTHRB
SCHEMBL23401944 0.86 HEXA (0.43) TP53TLR8MAPTTHRBNPC1
SCHEMBL23400396 0.86 TP53 (0.46) TP53TLR8KDM4EMAPTTHRB
SCHEMBL23398401 0.85 HSD11B1 (0.43) MAPTADORA3ADORA2AHSD11B1
SCHEMBL23402848 0.83 MAPT (0.42) TP53TLR8KDM4EMAPTNPC1
SCHEMBL23401087 0.83 TP53 (0.44) TP53TLR8KDM4EMAPTTHRB
SCHEMBL23400139 0.83 TP53 (0.45) TP53TLR8KDM4EMAPTTHRB

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