SCHEMBL7721161

SCHEMBL7721161

CC(C)n1c(SCCN2CCOCC2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.51
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL8363128 0.85 PDE10A (0.58) PDE10ARAB9AALDH1A1LMNARXFP1
SCHEMBL6284250 0.82 ALDH1A1 (0.55) PDE10ARAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL7721157 0.78 SMN1; SMN2 (0.47) RAB9AALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL9513257 0.77 ALDH1A1 (0.54) PDE10AALDH1A1LMNAMAPT
SCHEMBL15723845 0.76 KDM4E (0.58) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL5106665 0.75 PDE10A (0.43) PDE10ARAB9AALDH1A1LMNAHSD17B10
SCHEMBL7721150 0.75 LMNA (0.51) RAB9AALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL7721559 0.72 SMN1; SMN2 (0.53) RAB9AALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL9514685 0.70 RAB9A (1.00) RAB9AALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7726932 0.70 HSD17B10 (0.53) RAB9AALDH1A1LMNASMN1; SMN2HSD17B10

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
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed