SCHEMBL23399461

SCHEMBL23399461

Cc1cccc(-c2nn(C)c(O)c2CC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
SRC P12931 1/20 0.37
TDP2 O95551 1/20 0.36
DPP4 P27487 1/20 0.36
RIPK2 O43353 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
LMNA P02545 2/20 0.34
TGFBR1 P36897 2/20 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
SCHEMBL23402951 0.86 SRC (0.47) SMN1; SMN2POLBSRCDPP4RIPK2
SCHEMBL23400957 0.85 ESR1 (0.39) POLBSRCDPP4RIPK2MAPT
SCHEMBL23402944 0.85 SMN1; SMN2 (0.39) SMN1; SMN2POLBTDP2DPP4RIPK2
SCHEMBL23401695 0.84 SMN1; SMN2 (0.48) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL23403398 0.84 NPC1 (0.37) SMN1; SMN2POLBSRCDPP4RIPK2
SCHEMBL23400629 0.84 GABRA1 (0.36) SMN1; SMN2POLBSRCDPP4RIPK2
SCHEMBL23402568 0.83 RIPK2 (0.49) SMN1; SMN2POLBSRCDPP4RIPK2
SCHEMBL23399819 0.83 ALDH1A1 (0.44) SMN1; SMN2SRCDPP4MAPTNPC1
SCHEMBL23401403 0.83 SMN1; SMN2 (0.43) SMN1; SMN2POLBDPP4MAPTNPC1
SCHEMBL23401175 0.82 TLR8 (0.40) SMN1; SMN2POLBTDP2DPP4RIPK2

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