SCHEMBL9778545

SCHEMBL9778545

CSc1cccc(COc2ccc(C3SCCS3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
MAOB P27338 9/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
MAOA P21397 2/20 0.37
F2 P00734 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9778559 0.95 SLC6A4 (0.41) SLC6A4MAOBMRGPRX4KDM4EALDH1A1
SCHEMBL9778755 0.83 MAOB (0.53) MAOBMRGPRX4KDM4EALDH1A1LMNA
SCHEMBL9778553 0.82 MAOB (0.59) MAOBMRGPRX4TP53PKMNFKB1
SCHEMBL9778706 0.80 MAOB (0.58) MAOBMAOA
SCHEMBL9778542 0.79 PTPRZ1 (0.40) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL9778622 0.79 MAOB (0.59) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL9778676 0.78 MAOB (0.51) MAOBMRGPRX4MAPTMAOAOPRM1
SCHEMBL9778737 0.78 KCNH2 (0.54) SLC6A4MAOBMRGPRX4MAOA
SCHEMBL9778609 0.77 MAOB (0.40) MAOBKDM4EALDH1A1MAOARAB9A
SCHEMBL9778563 0.77 MAOB (0.57) MAOBRAB9A

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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed