SCHEMBL11119945

SCHEMBL11119945

NC(=S)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.64
▸ MAOB P27338 5/20 0.62
▸ MAOA P21397 1/20 0.62
▸ F2 P00734 2/20 0.57
▸ APP P05067 1/20 0.57
▸ PARP10 Q53GL7 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57
▸ TMPRSS6 Q8IU80 1/20 0.57
▸ ST14 Q9Y5Y6 1/20 0.57
▸ DHFR P00374 1/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CCR6 P51684 1/20 0.54
▸ UBE2N P61088 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 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
SCHEMBL8558672 0.83 NPC1 (0.64) MAOBF2APPPARP10PRSS1
SCHEMBL11117974 0.83 PARP10 (0.83) NR4A2MAOBMAOAF2APP
SCHEMBL6890765 0.83 PARP10 (0.70) NR4A2MAOBMAOAF2PARP10
SCHEMBL10991891 0.82 MAOB (0.80) NR4A2MAOBMAOAAPPDHFR
SCHEMBL16697339 0.81 NR4A2 (0.60) NR4A2MAOBMAOAF2APP
SCHEMBL16697343 0.81 NR4A2 (0.60) NR4A2MAOBMAOAF2APP
SCHEMBL11600066 0.78 MAOB (0.69) NR4A2MAOBMAOAAPPDHFR
SCHEMBL12127490 0.78 MAOA (0.54) MAOBMAOAF2PARP10ST14
SCHEMBL3624903 0.78 MAOB (0.69) NR4A2MAOBMAOAAPPDHFR
SCHEMBL1369316 0.78 NR4A2 (1.00) NR4A2MAOBMAOANPC1RAB9A

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
EP-0028305-B1 DIARYL COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 — — EP disclosed
EP-0028305-A1 Diaryl compounds and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-05-13 — — EP disclosed
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