SCHEMBL28025037

SCHEMBL28025037

Cc1ccc(C)c(C(=O)ON)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 3/20 0.42
CYP2D6 P10635 1/20 0.42
CSNK2A1 P68400 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL18583320 0.84 RAB9A (0.48) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL6113275 0.83 MEN1 (0.52) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL2126690 0.83 MEN1 (0.52) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL31186730 0.83 MEN1 (0.52) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL30364839 0.82 CYP46A1 (0.56) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL1170022 0.82 CYP46A1 (0.56) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL16502297 0.81 MAPT (0.36) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL16127178 0.81 KEAP1 (0.43) SMN1; SMN2MAPTNPC1HPGDMEN1
SCHEMBL23243818 0.81 LOXL2 (0.42) SMN1; SMN2MAPTNPC1HPGDKMT2A
SCHEMBL6893999 0.80 MEN1 (0.49) SMN1; SMN2MAPTNPC1HPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854087-A As P2X7Indole carboxamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-08-19 CN disclosed
CN-104812749-A Iindole carboxamide derivatives as p2x7 receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-07-29 CN disclosed