SCHEMBL2771689

SCHEMBL2771689

Cc1cc(Cl)nc(N[C]=S)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CACNA1B Q00975 2/20 0.31
▸ APBA1 Q02410 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NR2E3 Q9Y5X4 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL2771917 0.80 — —
SCHEMBL13116022 0.75 NOS3 (0.61) NOS3NOS2S1PR2MAPTSMN1; SMN2
SCHEMBL30689573 0.75 NOS3 (0.61) NOS3NOS2S1PR2MAPTSMN1; SMN2
SCHEMBL18689678 0.74 ALDH1A1 (0.43) NOS3NOS2S1PR2MAPTSMN1; SMN2
SCHEMBL2771693 0.73 NOS3 (0.35) NOS3NOS2S1PR2SMN1; SMN2POLB
SCHEMBL165100 0.71 — —
SCHEMBL16454931 0.71 PGK1 (0.38) NOS3NOS2S1PR2MAPTKMT2A
SCHEMBL19225767 0.71 TRPM8 (0.42) NOS3NOS2S1PR2MAPTPOLB
SCHEMBL2770492 0.68 ALDH1A1 (0.44) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL18153309 0.68 MAPT (0.50) MAPTSMN1; SMN2POLBGAANPSR1

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-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO disclosed
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