SCHEMBL14899726

SCHEMBL14899726

Bc1ccc(CSC)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC6A4 P31645 4/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ IDO1 P14902 4/20 0.31
▸ MAOA P21397 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL5209430 0.86 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21765871 0.78 HRH3 (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL515186 0.76 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10299392 0.76 IDO1 (0.52) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13534963 0.74 PRSS1 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2030465 0.74 IDO1 (0.50) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL514628 0.74 APP (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL776074 0.74 LMNA (0.58) NPC1RAB9ALMNAIDO1MAOA
SCHEMBL1145694 0.74 IDO1 (0.50) NPC1RAB9AMEN1KMT2ASLC6A4
SCHEMBL14950464 0.74 IDO1 (0.52) MAPTNPC1RAB9ASMN1; SMN2LMNA

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
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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