SCHEMBL19465571

SCHEMBL19465571

O=C(O)c1ccc2c(C3CCC3)nn(-c3cccc(N4CCCC4)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 18/20 0.52
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36

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
SCHEMBL19465582 0.87 CFTR (0.54) CFTRKDM4EALDH1A1HPGD
SCHEMBL19465593 0.80 CFTR (0.49) CFTRKDM4EMEN1ALDH1A1GAA
SCHEMBL18694250 0.75 CFTR (0.72) CFTR
SCHEMBL18693073 0.75 CFTR (0.75) CFTR
SCHEMBL18694703 0.75 CFTR (0.75) CFTR
SCHEMBL18693599 0.72 CFTR (0.63) CFTR
SCHEMBL18693653 0.72 CFTR (0.87) CFTR
SCHEMBL18693927 0.72 CFTR (0.68) CFTR
SCHEMBL18694653 0.72 CFTR (0.65) CFTR
SCHEMBL19465611 0.71 CFTR (0.61) CFTRKDM4EMEN1ALDH1A1KMT2A

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
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
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