SCHEMBL23403236

SCHEMBL23403236

Cc1cccc(-n2nc(O)c(-c3ccccc3)c2CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.45
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
GLA P06280 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
CACNA1H O95180 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL23402032 0.93 ALDH1A1 (0.38) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23402222 0.88 CACNA1H (0.43) RPA1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23400813 0.86 CACNA1H (0.40) ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL23403135 0.86 RPA1 (0.48) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23398498 0.86 CACNA1H (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL23403539 0.84 RPA1 (0.46) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399125 0.83 ALDH1A1 (0.42) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23400131 0.83 RPA1 (0.45) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23401595 0.82 ALDH1A1 (0.41) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399671 0.81 RPA1 (0.48) 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