SCHEMBL23403249

SCHEMBL23403249

CCc1c(O)c(-c2ccccc2)nn1-c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.48
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
MAPK13 O15264 1/20 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
SCHEMBL23401612 0.92 ALDH1A1 (0.40) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23401380 0.90 RPA1 (0.46) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23401669 0.88 RPA1 (0.44) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23398985 0.87 MEN1 (0.48) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL23400131 0.86 RPA1 (0.45) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23402133 0.85 KMT2A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23402489 0.85 MEN1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23401122 0.83 RPA1 (0.52) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23400326 0.82 RPA1 (0.51) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23403699 0.82 ALDH1A1 (0.49) RPA1ALDH1A1L3MBTL1TP53MAPT

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