SCHEMBL23403159

SCHEMBL23403159

CCCCc1nn(-c2cccc(C)c2)c(-c2ccccc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.44
TP53 P04637 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 1/20 0.38
SOAT2 O75908 3/20 0.38
SOAT1 P35610 3/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL23399226 0.94 ALDH1A1 (0.43) RPA1TP53CNR1CNR2ALDH1A1
SCHEMBL23402132 0.93 CNR1 (0.46) RPA1TP53CNR1CNR2ALDH1A1
SCHEMBL23402947 0.93 MAPT (0.39) RPA1TP53ALDH1A1L3MBTL1PDE4A
SCHEMBL23401033 0.93 RPA1 (0.46) RPA1TP53ALDH1A1L3MBTL1NPC1
SCHEMBL23401465 0.89 CNR1 (0.47) TP53CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL23402679 0.88 RPA1 (0.48) RPA1TP53ALDH1A1L3MBTL1PDE4A
SCHEMBL23400037 0.86 ALDH1A1 (0.45) RPA1TP53ALDH1A1L3MBTL1PDE4A
SCHEMBL23398384 0.86 MAPT (0.46) TP53CNR1CNR2ALDH1A1PDE4A
SCHEMBL23401412 0.86 MAPT (0.43) TP53CNR1CNR2ALDH1A1PDE4A
SCHEMBL23399838 0.85 MAPT (0.40) RPA1TP53ALDH1A1L3MBTL1PDE4A

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