SCHEMBL23401010

SCHEMBL23401010

CCc1c(O)nn(-c2cccc(C)c2)c1-c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RPA1 P27694 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
GLA P06280 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL23401755 0.93 ALDH1A1 (0.48) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23402150 0.93 RPA1 (0.48) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23399236 0.91 L3MBTL1 (0.48) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23401355 0.91 ALDH1A1 (0.40) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23400557 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23401738 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23401514 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23401107 0.85 MAPT (0.44) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23399745 0.83 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1
SCHEMBL23399734 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1RPA1SMN1; SMN2NPC1

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