SCHEMBL8132437

SCHEMBL8132437

COc1ccc(SC(C(C)=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.54
EPHX1 P07099 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ACP3 P15309 1/20 0.47
ADAM17 P78536 2/20 0.47
PKM P14618 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CNR1 P21554 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6934273 0.89 MAPT (0.55) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL28470897 0.86 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4262200 0.85 LMNA (0.66) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4534294 0.84 ADAM17 (0.66) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL11293629 0.83 MAPT (0.55) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL28470775 0.82 MAPT (0.50) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6929216 0.82 KDM4E (0.53) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL28472602 0.81 MAPT (0.46) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6077411 0.81 LMNA (0.53) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL28475863 0.77 HTT (0.48) MAPTLMNASMN1; SMN2ALDH1A1NPSR1

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-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US disclosed
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed