SCHEMBL31318409

SCHEMBL31318409

O=C1CCCc2c(SCc3ccccc3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 2/20 0.43
ADORA2A P29274 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
CYP2A6 P11509 1/20 0.41
S100A4 P26447 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31318416 0.84 MAOB (0.48) ALDH1A1KMT2AMEN1ADORA2APPARG
SCHEMBL28346611 0.78 PTGS2 (0.41) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL28310257 0.75 MAOB (0.50) KDM4EALDH1A1KMT2AMEN1PPARG
SCHEMBL5886326 0.74 CYP2A6 (0.44) L3MBTL1KDM4EALDH1A1TSHRMRGPRX4
SCHEMBL27036826 0.72 HTT (0.40) L3MBTL1KDM4EALDH1A1NPSR1KMT2A
SCHEMBL31460521 0.71 KDM4E (0.41) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL22531485 0.71 KDM4E (0.41) L3MBTL1KDM4EALDH1A1TSHRNPSR1
SCHEMBL6366697 0.71 POLB (0.52) L3MBTL1KDM4EALDH1A1NPSR1KMT2A
SCHEMBL28041457 0.71 MAOA (0.56) KDM4ETSHRMRGPRX4KMT2AMEN1
SCHEMBL7587251 0.71 PARP10 (0.54) MRGPRX4KMT2AMEN1MAOBMAOA

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
CN-119285479-A Preparation and application of novel MAO-B inhibitor containing tetrahydronaphthalene-1-amine structure 重庆医科大学 2025-01-10 CN disclosed