SCHEMBL4786957

SCHEMBL4786957

COC(=O)c1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.78
MEN1 O00255 5/20 0.78
MAPT P10636 3/20 0.78
ALDH1A1 P00352 3/20 0.78
POLB P06746 1/20 0.78
RAB9A P51151 8/20 0.62
GFER P55789 1/20 0.59
NPC1 O15118 5/20 0.59
GAA P10253 3/20 0.59
HPGD P15428 2/20 0.59
TP53 P04637 1/20 0.56
ALOX12 P18054 1/20 0.56
RXFP1 Q9HBX9 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4784413 0.85 RAB9A (0.71) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4785964 0.82 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4787183 0.80 KMT2A (0.89) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4735403 0.80 RAB9A (0.71) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4739354 0.78 RAB9A (0.78) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL4739304 0.78 RAB9A (0.78) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL4784146 0.75 RAB9A (0.62) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4738902 0.75 RAB9A (0.78) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL4736959 0.75 RAB9A (0.88) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL4785248 0.74 GFER (1.00) KMT2AMEN1MAPTALDH1A1POLB

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