SCHEMBL23402132

SCHEMBL23402132

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 5/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.41
SOAT2 O75908 4/20 0.40
SOAT1 P35610 4/20 0.40

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) CNR1CNR2NPC1RAB9AALDH1A1
SCHEMBL23403159 0.93 RPA1 (0.44) CNR1CNR2NPC1RAB9AALDH1A1
SCHEMBL23401496 0.93 L3MBTL1 (0.44) CNR1CNR2NPC1RAB9AALDH1A1
SCHEMBL23402648 0.93 TP53 (0.47) CNR1CNR2NPC1RAB9AALDH1A1
SCHEMBL23401465 0.89 CNR1 (0.47) CNR1CNR2ALDH1A1NFKB1L3MBTL1
SCHEMBL23401181 0.88 DPP4 (0.41) RAB9AALDH1A1TP53PDE4APDE4B
SCHEMBL23401014 0.88 ALDH1A1 (0.48) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL23400037 0.86 ALDH1A1 (0.45) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL23398384 0.86 MAPT (0.46) CNR1CNR2NPC1RAB9AALDH1A1
SCHEMBL23401412 0.86 MAPT (0.43) CNR1CNR2ALDH1A1NFKB1TP53

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