SCHEMBL4740294

SCHEMBL4740294

O=C(Cn1cc(-c2ccccc2)[nH]c1=S)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2B Q13224 3/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.44
NAAA Q02083 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 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
SCHEMBL4737066 0.99 PTGS2 (0.49) PTGS2MEN1RAB9AKMT2AGRIN2B
SCHEMBL4783050 0.88 PTGS2 (0.53) PTGS2MEN1KMT2AGRIN2BALDH1A1
SCHEMBL4786062 0.81 RAB9A (0.50) PTGS2MEN1RAB9AKMT2AALDH1A1
SCHEMBL4785588 0.75 GFER (0.47) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4783037 0.73 LMNA (0.43) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4735233 0.70 KMT2A (0.57) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4737872 0.69 KMT2A (0.51) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4736170 0.68 KMT2A (0.58) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4782112 0.68 HCRTR1 (0.51) MEN1RAB9AKMT2AGRIN2BALDH1A1
SCHEMBL4739350 0.67 KMT2A (0.50) MEN1RAB9AKMT2AALDH1A1MAPT

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
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed