SCHEMBL19046554

SCHEMBL19046554

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 11/20 0.65
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19032802 0.90 CFTR (0.80) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046406 0.89 CFTR (0.66) CFTRKMT2AHTTTDP1
SCHEMBL19046547 0.89 CFTR (0.69) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046538 0.89 CFTR (0.65) CFTRTDP1
SCHEMBL19046530 0.88 CFTR (0.67) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19032775 0.84 CFTR (0.72) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046446 0.80 CFTR (0.62) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046548 0.80 CFTR (0.85) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19032835 0.80 CFTR (0.81) CFTRMEN1KMT2ATDP1
SCHEMBL29478065 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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