SCHEMBL4738136

SCHEMBL4738136

Fc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.78
NPC1 O15118 6/20 0.67
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
KMT2A Q03164 6/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 1/20 0.63
GAA P10253 5/20 0.63
HPGD P15428 2/20 0.58
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
GFER P55789 1/20 0.52

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
SCHEMBL4735887 0.88 RAB9A (0.93) RAB9ANPC1CA12CA1CA2
SCHEMBL4737060 0.88 RAB9A (1.00) RAB9ANPC1CA12CA1CA2
SCHEMBL4739304 0.84 RAB9A (0.78) RAB9ANPC1CA12CA1CA2
SCHEMBL4738902 0.84 RAB9A (0.78) RAB9ANPC1CA12CA1CA2
SCHEMBL4736959 0.84 RAB9A (0.88) RAB9ANPC1CA12CA1CA2
SCHEMBL4739354 0.84 RAB9A (0.78) RAB9ANPC1CA12CA1CA2
SCHEMBL4474345 0.81 CA12 (0.61) RAB9ANPC1CA12CA1CA2
SCHEMBL4787183 0.80 KMT2A (0.89) RAB9ANPC1CA12CA1CA2
SCHEMBL4784413 0.80 RAB9A (0.71) RAB9ANPC1CA12CA1CA2
SCHEMBL4740266 0.80 RAB9A (0.71) RAB9ANPC1CA12CA1CA2

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