SCHEMBL4787183

SCHEMBL4787183

COc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.89
RAB9A P51151 8/20 0.89
NPC1 O15118 5/20 0.89
GAA P10253 4/20 0.89
HPGD P15428 2/20 0.89
MEN1 O00255 6/20 0.86
TP53 P04637 1/20 0.86
ALOX12 P18054 1/20 0.86
ALDH1A1 P00352 3/20 0.75
RXFP1 Q9HBX9 2/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
MAPT P10636 3/20 0.73
POLB P06746 1/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67

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
SCHEMBL1180051 0.92 KMT2A (1.00) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL1180736 0.89 RAB9A (0.83) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4735887 0.84 RAB9A (0.93) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4737060 0.84 RAB9A (1.00) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4739354 0.83 RAB9A (0.78) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL1179855 0.82 KMT2A (0.78) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4736959 0.80 RAB9A (0.88) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4739304 0.80 RAB9A (0.78) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4738902 0.80 RAB9A (0.78) KMT2ARAB9ANPC1GAAHPGD
SCHEMBL4738136 0.80 RAB9A (0.78) KMT2ARAB9ANPC1GAAHPGD

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