SCHEMBL9586282

SCHEMBL9586282

OC(=S)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.71
MAOB P27338 4/20 0.67
SMPD1 P17405 1/20 0.63
SRD5A2 P31213 1/20 0.61
PTPN1 P18031 1/20 0.60
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
F2 P00734 3/20 0.57
HPD P32754 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NR1H4 Q96RI1 1/20 0.55
RAB9A P51151 1/20 0.54

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
SCHEMBL6893845 0.87 NR4A2 (0.67) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL9586301 0.86 NR4A2 (0.74) NR4A2MAOBF2RAB9A
SCHEMBL9585753 0.84 FFAR1 (0.57) NR4A2MAOBSMPD1F2
SCHEMBL7908051 0.83 SRD5A2 (0.85) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL339009 0.83 NR4A2 (1.00) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL30207018 0.83 NR4A2 (1.00) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL3442746 0.81 NR4A2 (0.79) NR4A2MAOBSMPD1SRD5A2PTPN1
Hydrochloric Acid SCHEMBL4748074 0.81 NR4A2 (0.97) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL1268719 0.81 MAOB (0.81) NR4A2MAOBSMPD1CYP4F2CYP4A11
SCHEMBL8255981 0.80 F2 (0.88) NR4A2F2

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