SCHEMBL16263934

SCHEMBL16263934

NC(=O)c1cc([S+]([O-])N2CCOCC2)sc1NC(=O)c1c(O)cc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CFTR P13569 5/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ STAT6 P42226 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ EIF2AK2 P19525 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ BCL3 P20749 1/20 0.30
▸ TNIK Q9UKE5 1/20 0.30
▸ LMNA P02545 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
SCHEMBL16263912 0.85 BCL3 (0.42) MAPTMEN1KMT2AJAK2KCNH2
SCHEMBL19494912 0.81 CFTR (0.40) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16263849 0.80 CNR2 (0.42) MAPTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL16338625 0.79 CFTR (0.48) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19494312 0.76 MEN1 (0.32) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19494633 0.76 ALDH1A1 (0.33) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16263801 0.74 L3MBTL1 (0.47) MAPTSMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL16263844 0.73 KDM1A (0.36) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16337492 0.69 CFTR (0.47) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19494707 0.67 NPC1 (0.40) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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
WO-2014180562-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2014-11-13 — — WO disclosed
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