SCHEMBL2930725

SCHEMBL2930725

CSC(=S)NCCc1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.72
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CNR1 P21554 1/20 0.48
GAA P10253 2/20 0.46
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2932575 0.84 IDO1 (0.70) IDO1RAB9ASMN1; SMN2CNR1GAA
SCHEMBL2792097 0.84 IDO1 (0.70) IDO1NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL2794397 0.84 IDO1 (1.00) IDO1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2930785 0.81 LMNA (0.66) IDO1SMN1; SMN2KMT2ALMNAALOX12
SCHEMBL1521069 0.81 IDO1 (0.70) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3912629 0.78 IDO1 (0.68) IDO1NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL30439849 0.77 KMT2A (0.47) IDO1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL1520511 0.77 IDO1 (0.51) IDO1NPC1RAB9AGAATP53
SCHEMBL10566671 0.74 IDO1 (0.81) IDO1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL16681873 0.73 NPC1 (0.74) NPC1RAB9ASMN1; SMN2CNR1PLAAT3

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
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed