SCHEMBL23399593

SCHEMBL23399593

Cc1cccc(-c2nn(CC(C)C)c(O)c2-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 4/20 0.37
GLA P06280 3/20 0.37
GAA P10253 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
CNR1 P21554 2/20 0.36

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
SCHEMBL23401249 0.94 KMT2A (0.37) ALDH1A1RAB9AL3MBTL1NPSR1MEN1
SCHEMBL23402853 0.88 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1TP53DPP4MEN1
SCHEMBL23399567 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL23403196 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL23401201 0.85 GABRA1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL23403664 0.85 SMN1; SMN2 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL23401406 0.83 ESR1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL23402342 0.83 NR1H2 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL23400629 0.82 GABRA1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL23399288 0.82 MAPK14 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1

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