SCHEMBL19046538

SCHEMBL19046538

Nc1ccc([N+](=O)O)cc1-c1nc2cc(F)ccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 14/20 0.65
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19046220 0.90 CFTR (0.80) CFTR
SCHEMBL19046406 0.89 CFTR (0.66) CFTRTDP1KDM4EALDH1A1
SCHEMBL19046554 0.89 CFTR (0.65) CFTRTDP1
SCHEMBL19032803 0.84 CFTR (0.72) CFTRALDH1A1
SCHEMBL19032834 0.83 CFTR (0.57) CFTRTDP1
SCHEMBL19046547 0.82 CFTR (0.69) CFTR
SCHEMBL19046530 0.80 CFTR (0.67) CFTR
SCHEMBL19032835 0.80 CFTR (0.81) CFTRTDP1KDM4EALDH1A1
SCHEMBL29478065 0.79 CFTR (1.00) CFTR
SCHEMBL19032095 0.79 CFTR (1.00) CFTR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 — — EP disclosed
EP-4071140-A1 CFTR REGULATORS AND METHODS OF USE THEREOF The Regents of The University of California (US) 2022-10-12 — — EP disclosed
WO-2017112950-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-29 — — WO disclosed
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