SCHEMBL19465609

SCHEMBL19465609

O=C(O)c1ccc2c(C3CCC3)nn(C3CCCCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HCAR3 P49019 3/20 0.36
▸ KMO O15229 1/20 0.35
▸ LDHA P00338 1/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ ESR1 P03372 1/20 0.33

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
SCHEMBL19465613 0.79 CFTR (0.42) CFTRKDM4EGLAHTTKMT2A
SCHEMBL19465582 0.78 CFTR (0.54) CFTRKDM4E
SCHEMBL28495364 0.77 CFTR (0.47) CFTRKDM4EKMOLDHA
SCHEMBL18692896 0.74 CFTR (0.51) CFTRKDM4EGLAHTTKMT2A
SCHEMBL925299 0.72 SMN1; SMN2 (0.44) CFTRKDM4EGLAHTTKMT2A
SCHEMBL18693139 0.71 CFTR (0.52) CFTR
SCHEMBL19465571 0.71 CFTR (0.52) CFTRKDM4EKMT2A
SCHEMBL1711661 0.69 KDM4E (0.51) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL18732871 0.69 CFTR (0.52) CFTR
SCHEMBL18692687 0.68 CFTR (0.57) 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 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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