SCHEMBL19046446

SCHEMBL19046446

Nc1ccc([N+](=O)O)cc1-c1nc2ccccc2n(Cc2ccccc2Br)c1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 8/20 0.62
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 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
SCHEMBL19032808 0.91 CFTR (0.75) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046547 0.87 CFTR (0.69) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046530 0.85 CFTR (0.67) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046554 0.80 CFTR (0.65) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046533 0.80 CFTR (0.55) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046529 0.80 CFTR (0.55) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046406 0.77 CFTR (0.66) CFTRKMT2AHTTALDH1A1
SCHEMBL19046548 0.77 CFTR (0.85) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046538 0.77 CFTR (0.65) CFTRALDH1A1
SCHEMBL29478065 0.76 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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