SCHEMBL4785248

SCHEMBL4785248

CC(=O)Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 1.00
RAB9A P51151 7/20 0.62
GAA P10253 5/20 0.59
KMT2A Q03164 7/20 0.59
NPC1 O15118 5/20 0.59
HPGD P15428 2/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL4737060 0.79 RAB9A (1.00) GFERRAB9AGAAKMT2ANPC1
SCHEMBL14147078 0.78 GFER (0.64) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4738476 0.78 RAB9A (0.78) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4803704 0.77 GFER (0.63) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4735887 0.76 RAB9A (0.93) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4785964 0.75 KMT2A (0.61) GFERRAB9AGAAKMT2ANPC1
SCHEMBL18292671 0.75 RAB9A (0.78) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4786957 0.74 KMT2A (0.78) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4784413 0.74 RAB9A (0.71) GFERRAB9AGAAKMT2ANPC1
SCHEMBL4739304 0.72 RAB9A (0.78) GFERRAB9AGAAKMT2ANPC1

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