SCHEMBL23401423

SCHEMBL23401423

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.52
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
ADORA1 P30542 1/20 0.41
GRM5 P41594 1/20 0.41
LMNA P02545 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 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
SCHEMBL23402373 0.91 ALDH1A1 (0.44) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23398433 0.88 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23399608 0.87 RPA1 (0.51) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23401472 0.86 RPA1 (0.50) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399390 0.83 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399436 0.83 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23403135 0.83 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399671 0.83 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23398457 0.83 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL23399220 0.83 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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