SCHEMBL4737012

SCHEMBL4737012

Cc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
RAB9A P51151 10/20 0.58
NPC1 O15118 6/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.50
HPGD P15428 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MDM4 O15151 1/20 0.48
LMNA P02545 1/20 0.48
MDM2 Q00987 1/20 0.48
GFER P55789 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL14147263 0.83 KMT2A (0.64) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4739714 0.83 MMP13 (0.58) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4739010 0.82 RAB9A (0.58) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4783025 0.81 SMN1; SMN2 (0.41) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4785714 0.79 RAB9A (0.54) GAARAB9ANPC1KMT2AMEN1
SCHEMBL14147078 0.79 GFER (0.64) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4785836 0.78 NR4A1 (0.44) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4785282 0.78 KMT2A (0.50) GAARAB9ANPC1KMT2AMEN1
SCHEMBL14147077 0.78 GFER (0.51) GAARAB9ANPC1KMT2AMEN1
SCHEMBL4735513 0.76 MMP13 (0.44) RAB9ANPC1KMT2AMEN1HPGD

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