SCHEMBL19494388

SCHEMBL19494388

CNc1sc([S+]([O-])N2CCCCC2)cc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ CHEK1 O14757 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GFER P55789 2/20 0.33
▸ CFTR P13569 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL19494323 0.71 CHEK1 (0.37) MEN1KMT2ACHEK1KDM4EMAPT
SCHEMBL19494932 0.69 IKBKB (0.43) MEN1KMT2ACFTRIKBKB
SCHEMBL19494752 0.69 CFTR (0.45) MEN1KMT2ACHEK1GFERCFTR
SCHEMBL19494507 0.68 IKBKB (0.40) MEN1KMT2ACFTRIKBKB
SCHEMBL19494912 0.68 CFTR (0.40) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL19494474 0.68 NNMT (0.37) MEN1KMT2AKDM4ECFTRALDH1A1
SCHEMBL19494633 0.67 ALDH1A1 (0.33) MEN1KMT2ACHEK1KDM4EMAPT
SCHEMBL19494521 0.63 CA2 (0.41) MEN1KMT2ACHEK1KDM4EMAPT
SCHEMBL19494736 0.63 JAK2 (0.32) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL22652414 0.62 NPSR1 (0.42) MEN1KMT2AKDM4EMAPTNPSR1

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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