SCHEMBL15314101

SCHEMBL15314101

O=C(Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.58
PSMB8 P28062 2/20 0.49
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
KCNK2 O95069 1/20 0.41
KCNK4 Q9NYG8 1/20 0.41
ULK1 O75385 1/20 0.40
KHK P50053 1/20 0.39
DHODH Q02127 2/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SCN3A Q9NY46 2/20 0.38
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL18307641 0.85 GPR35 (0.57) GPR35PSMB8KCNK2KCNK4NPC1
SCHEMBL12652469 0.83 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL29360346 0.80 GPR35 (0.66) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL24832764 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL17943796 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL24832763 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL12735466 0.79 GPR35 (0.71) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL12652654 0.79 GPR35 (0.67) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL20870811 0.79 GPR35 (0.67) GPR35KCNK2KCNK4NPC1RAB9A
SCHEMBL20870531 0.77 GPR35 (0.67) GPR35KCNK2KCNK4NPC1RAB9A

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
US-8558004-B2 Reagents and kits for detection of influenza virus and the like CELLEX, INC. (US) 2013-10-15 US disclosed