SCHEMBL4784947

SCHEMBL4784947

COC(=O)C(C)n1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
KMT2A Q03164 8/20 0.49
GAA P10253 6/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
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 3/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
MCL1 Q07820 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
SCHEMBL4736668 0.87 RAB9A (0.51) GFERKMT2AGAARAB9ANPC1
SCHEMBL4799793 0.79 RAB9A (0.59) GFERKMT2AGAARAB9ANPC1
SCHEMBL4740360 0.76 ALOX15 (0.48) GFERKMT2AGAARAB9AHPGD
SCHEMBL4740852 0.75 RAB9A (0.51) GFERKMT2AGAARAB9ANPC1
SCHEMBL4740458 0.75 HTT (0.47) GFERKMT2AMAPTMEN1KDM4E
SCHEMBL4785588 0.72 GFER (0.47) GFERKMT2AGAARAB9ANPC1
SCHEMBL4786957 0.69 KMT2A (0.78) GFERKMT2AGAARAB9ANPC1
SCHEMBL3159327 0.69 KMT2A (0.55) GFERKMT2AGAARAB9ANPC1
SCHEMBL4785248 0.67 GFER (1.00) GFERKMT2AGAARAB9ANPC1
SCHEMBL3159586 0.67 RAB9A (0.59) GFERKMT2AGAARAB9ANPC1

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