SCHEMBL19494892

SCHEMBL19494892

N#Cc1ccc(C(=O)Nc2sc(N(O)SN3CCCCC3)cc2C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.41
▸ RAB9A P51151 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ CFTR P13569 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ MLLT1 Q03111 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ GALK1 P51570 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19494386 0.77 CFTR (0.39) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL19494401 0.77 CFTR (0.46) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL16261379 0.76 CFTR (0.64) MMP1RAB9AALDH1A1MEN1KMT2A
SCHEMBL19494695 0.73 MAPK1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7003497 0.71 MAPK1 (0.52) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL19494416 0.70 CNR1 (0.45) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL6505096 0.69 IKBKB (0.47) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL19494313 0.67 IKBKB (0.32) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL19494312 0.66 MEN1 (0.32) MEN1KMT2AMAPTKDM4ECFTR
SCHEMBL16246232 0.66 CFTR (0.58) RAB9AALDH1A1MEN1KMT2AMAPT

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-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 — — EP disclosed
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