SCHEMBL19494912

SCHEMBL19494912

NC(=O)c1cc([S+]([O-])N2CCOCC2)sc1NC(=O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 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
SCHEMBL16263801 0.83 L3MBTL1 (0.47) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL16263912 0.82 BCL3 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16263849 0.81 CNR2 (0.42) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16263934 0.81 MAPT (0.33) CFTRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL19494649 0.80 CFTR (0.43) CFTRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL16263844 0.79 KDM1A (0.36) KDM1AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16261720 0.79 RAB9A (0.47) CFTRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL19494633 0.78 ALDH1A1 (0.33) CFTRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL19494919 0.78 KDM4E (0.43) CFTRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL16246270 0.77 MAPT (0.54) CFTRKDM1AKDM4EALDH1A1SMN1; SMN2

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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