SCHEMBL8258989

SCHEMBL8258989

CC(C)CSc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
MAOA P21397 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
SDCBP O00560 2/20 0.42
SDC2 P34741 2/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 2/20 0.41
CYP1A2 P05177 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
Ammonia Solution, Strong SCHEMBL7245398 0.98 HPGD (0.49) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL11162282 0.83 MAOA (0.66) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL1496584 0.83 HPGD (0.47) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL11260151 0.83 MAOA (0.66) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL29324812 0.82 MAOA (0.44) HPGDMAOAHTTLMNAMEN1
SCHEMBL11261318 0.79 SLC6A4 (0.47) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL11275306 0.79 SLC6A4 (0.47) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL14397430 0.79 SCN4A (0.49) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL15855667 0.79 HPGD (0.49) HPGDMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL23393816 0.78 MAOA (0.41) HPGDMAOAMAOB

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-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed