SCHEMBL4557665

SCHEMBL4557665

Cc1cccc(NC(=S)OC(N)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
GRM5 P41594 6/20 0.53
NPC1 O15118 4/20 0.50
GBA1 P04062 3/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL30509648 0.79 RAB9A (0.72) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL5034141 0.79 RAB9A (0.72) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL30070833 0.79 KMT2A (0.72) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL2483166 0.79 KMT2A (0.72) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL28048829 0.77 RAB9A (0.50) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL11524092 0.76 KMT2A (0.68) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL14353530 0.75 RAB9A (1.00) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL3119185 0.75 RAB9A (0.78) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL31725239 0.75 RAB9A (0.78) RAB9AKMT2AMEN1GRM5NPC1
SCHEMBL49953 0.73 RAB9A (0.75) RAB9AKMT2AMEN1GRM5NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155565-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed