SCHEMBL23401472

SCHEMBL23401472

Cc1cccc(-c2c(-c3ccccc3)c(O)nn2-c2cccc(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.50
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 3/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL23398999 0.96 NPC1 (0.51) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399608 0.96 RPA1 (0.51) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399241 0.93 ALDH1A1 (0.47) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399436 0.92 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23402024 0.92 RPA1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23400330 0.92 ALDH1A1 (0.48) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23398921 0.90 L3MBTL1 (0.49) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23400634 0.87 ALDH1A1 (0.43) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23399103 0.87 RPA1 (0.49) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23398788 0.86 L3MBTL1 (0.50) RPA1ALDH1A1L3MBTL1NPC1RAB9A

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