SCHEMBL19465613

SCHEMBL19465613

CC(C)c1nn(C2CCCCC2)c2nc(C(=O)O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.42
▸ PDE7A Q13946 5/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE9A O76083 7/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ MERTK Q12866 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PDE1B Q01064 2/20 0.35

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
SCHEMBL19465609 0.79 CFTR (0.42) CFTRKMT2AKDM4EGLAHTT
SCHEMBL18694283 0.78 CFTR (0.46) CFTRKDM4ENR3C1MAPK13MAPK12
SCHEMBL18694123 0.75 CFTR (0.48) CFTRPDE7AKDM4EPDE9ANR3C1
SCHEMBL18694178 0.75 CFTR (0.49) CFTRKDM4ENR3C1
SCHEMBL18694643 0.73 CFTR (0.47) CFTRKDM4ENR3C1MAPK13MAPK12
SCHEMBL18694394 0.73 CFTR (0.53) CFTRKDM4ENR3C1
SCHEMBL18692209 0.72 CFTR (0.52) CFTRNR3C1
SCHEMBL18693388 0.72 CFTR (0.54) CFTRPDE7AKDM4ESMN1; SMN2NR3C1
SCHEMBL18693756 0.71 CFTR (0.49) CFTRPDE7AKDM4ENR3C1
SCHEMBL18693112 0.71 CFTR (0.51) CFTRNR3C1

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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