SCHEMBL23399653

SCHEMBL23399653

Cc1cccc(-c2nn(C(C)(C)C)c(O)c2C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.52
SRC P12931 4/20 0.48
ABL1 P00519 1/20 0.48
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL23401202 0.84 RECQL (0.43) RIPK2SRCABL1SMN1; SMN2MEN1
SCHEMBL23399731 0.83 RIPK2 (0.56) RIPK2SRCABL1LMNACNR1
SCHEMBL23399758 0.83 RIPK2 (0.44) RIPK2SRCABL1LDHALDHB
SCHEMBL23401281 0.82 RECQL (0.41) RIPK2SRCABL1LDHALDHB
SCHEMBL23401299 0.82 SRC (0.50) RIPK2SRCABL1LDHALDHB
SCHEMBL23400286 0.81 ALDH1A1 (0.47) RIPK2SRCLDHALDHBLMNA
SCHEMBL23398426 0.81 RIPK2 (0.54) RIPK2SRCABL1LMNACNR1
SCHEMBL23402568 0.81 RIPK2 (0.49) RIPK2SRCABL1LMNACNR1
SCHEMBL23400532 0.80 NPC1 (0.48) LMNAALDH1A1L3MBTL1NPC1NFKB1
SCHEMBL23402057 0.80 RIPK2 (0.53) RIPK2SRCABL1LMNACNR1

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