SCHEMBL23398386

SCHEMBL23398386

Cc1cccc(-n2nc(-c3ccccc3)c(O)c2C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.48
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 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
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL23400230 0.92 ALDH1A1 (0.40) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23401110 0.87 MEN1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL23398755 0.85 CCNA2 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL23403248 0.85 MEN1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL23401122 0.83 RPA1 (0.52) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23400326 0.82 RPA1 (0.51) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23400883 0.82 ALDH1A1 (0.49) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23403482 0.82 RPA1 (0.48) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399671 0.82 RPA1 (0.48) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399901 0.81 RPA1 (0.50) RPA1ALDH1A1L3MBTL1RAB9ANPC1

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