SCHEMBL4740852

SCHEMBL4740852

CC(CO)n1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
GAA P10253 8/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL4799793 0.82 RAB9A (0.59) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL4736668 0.79 RAB9A (0.51) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL4784947 0.75 GFER (0.50) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL4735233 0.70 KMT2A (0.57) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL259629 0.70 RAB9A (0.59) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL3159586 0.70 RAB9A (0.59) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL4740360 0.69 ALOX15 (0.48) RAB9AGAAKMT2AHPGDGFER
SCHEMBL4737060 0.68 RAB9A (1.00) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL9963182 0.66 MET (0.49) RAB9AGAAKMT2ANPC1HPGD
SCHEMBL4735887 0.66 RAB9A (0.93) RAB9AGAAKMT2ANPC1HPGD

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 3 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
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