SCHEMBL4697916

SCHEMBL4697916

CCc1ccc(C(O)(C=O)c2ccccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNN4 O15554 5/20 0.38
KIF11 P52732 3/20 0.38
FAAH O00519 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
CCR6 P51684 1/20 0.34
PLK1 P53350 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
SCHEMBL811207 0.84 KCNN4 (0.50) GAAKCNN4KIF11KCNE1KCNQ1
SCHEMBL4696293 0.80 MEN1 (0.55) RAB9AMEN1KMT2AKIF11XBP1
SCHEMBL4696006 0.79 MAOB (0.43) NPC1GAARAB9AMEN1KMT2A
SCHEMBL13154113 0.70 KCNN4 (0.42) NPC1RAB9AKCNN4KCNE1KCNQ1
SCHEMBL11276527 0.68 RAB9A (0.40) NPC1RAB9AKCNN4KCNE1KCNQ1
SCHEMBL1628202 0.67 ALDH1A1 (0.41) GAAKIF11SMN1; SMN2LMNA
SCHEMBL11619734 0.67 KCNN4 (0.46) KCNN4KIF11KCNE1KCNQ1HTT
SCHEMBL29831966 0.67 KCNN4 (0.46) KCNN4KIF11KCNE1KCNQ1HTT
SCHEMBL9527344 0.65 KCNN4 (0.39) KCNN4KIF11KCNE1KCNQ1CCR6
SCHEMBL25263688 0.65 KCNN4 (0.41) NPC1GAARAB9AMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed