SCHEMBL7304856

SCHEMBL7304856

Cc1nnc(COc2ccc3c4c(c(=S)oc3c2)CCCC4)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 9/20 0.48
MAPT P10636 9/20 0.48
HPGD P15428 8/20 0.48
HSD17B10 Q99714 6/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 6/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 4/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
APEX1 P27695 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7300401 0.88 TDP1 (0.62) MAOBALDH1A1KDM4EMAPTHPGD
SCHEMBL7296443 0.78 ALDH1A1 (0.64) MAOBALDH1A1KDM4EMAPTHPGD
SCHEMBL7302123 0.76 MAOB (0.77) MAOB
SCHEMBL7301973 0.74 MAOB (0.51) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7293827 0.73 MAOB (0.65) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7291407 0.72 MAOB (0.64) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7314399 0.72 MAOB (0.55) MAOBALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7294868 0.72 MAOB (0.64) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7308829 0.72 MAOB (0.53) MAOBKDM4EMAPT
SCHEMBL7297386 0.71 AR (0.66) MAOB

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-5414006-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed
EP-0594036-A1 Arylalkyloxythiocoumarines, process for their preparation and therapeutical agents containing them BASF Aktiengesellschaft (DE) 1994-04-27 EP disclosed