SCHEMBL9282913

SCHEMBL9282913

CCOC(=O)c1c(C)nc2c(S(C)(=O)=O)c(CCC(=O)c3ccccc3)ccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
MAPK1 P28482 3/20 0.53
MAPT P10636 2/20 0.53
HCRTR1 O43613 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C9 P11712 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5032811 0.86 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5032877 0.84 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL9284413 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
Bromide SCHEMBL5036774 0.83 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL9283229 0.75 ALDH1A1 (0.44) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035217 0.70 ALDH1A1 (0.38) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035286 0.68 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL7502575 0.68 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL20579804 0.68 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL7499292 0.67 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1

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
WO-1995027714-A1 ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-10-19 WO disclosed