SCHEMBL9586293

SCHEMBL9586293

O=C(S)c1cccc(OCc2cccc(Cl)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.77
MAOB P27338 7/20 0.75
MAOA P21397 4/20 0.75
RXRA P19793 2/20 0.62
RXRB P28702 2/20 0.62
RXRG P48443 2/20 0.62
NPC1 O15118 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
MRGPRX4 Q96LA9 3/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL13802461 0.87 NR4A2 (1.00) NR4A2MAOBMAOARXRARXRB
SCHEMBL29784229 0.87 NR4A2 (1.00) NR4A2MAOBMAOARXRARXRB
SCHEMBL8694329 0.86 MAOB (1.00) NR4A2MAOBMAOARXRARXRB
SCHEMBL15452539 0.86 NR4A2 (0.77) NR4A2MAOBMAOARXRARXRB
SCHEMBL9586273 0.85 NR4A2 (0.77) NR4A2MAOBMRGPRX4
SCHEMBL9587641 0.83 MAOB (0.76) NR4A2MAOBMAOARXRARXRB
SCHEMBL9586301 0.81 NR4A2 (0.74) NR4A2MAOBMAOARXRARXRB
SCHEMBL9585749 0.81 FFAR1 (0.60) NR4A2MAOBMAOAMRGPRX4
SCHEMBL6951279 0.79 NR4A2 (0.70) NR4A2MAOBMAOARXRARXRB
SCHEMBL6951282 0.79 NR4A2 (0.70) NR4A2MAOBMAOARXRARXRB

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-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed