SCHEMBL27428371

SCHEMBL27428371

C[NH+]([O-])c1ccc(N)c(-c2nc3ccccc3n(Cc3ccc(Br)cc3)c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 9/20 0.59
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 1/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TBXA2R P21731 1/20 0.42

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
SCHEMBL19032775 0.83 CFTR (0.72) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL19046548 0.83 CFTR (0.85) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL19046547 0.81 CFTR (0.69) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL24363056 0.77 CFTR (0.72) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL19448876 0.76 MEN1 (0.72) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL19032803 0.74 CFTR (0.72) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL19032095 0.74 CFTR (1.00) CFTR
SCHEMBL29478065 0.74 CFTR (1.00) CFTR
SCHEMBL19032864 0.74 CFTR (0.82) CFTRMEN1KMT2ARAB9AMAPT
SCHEMBL19032706 0.73 CFTR (0.80) CFTRMEN1KMT2AMAPK1POLB

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-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 — — EP disclosed
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