SCHEMBL6607705

SCHEMBL6607705

CCCC(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.58
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PRKACA P17612 1/20 0.55
CDK8 P49336 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
PRKX P51817 1/20 0.55
PRKCQ Q04759 1/20 0.55
ROCK1 Q13464 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
TACR3 P29371 1/20 0.54
PRSS1 P07477 1/20 0.54
CTSG P08311 1/20 0.54
CTRB1 P17538 1/20 0.54
CMA1 P23946 1/20 0.54

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
SCHEMBL6602494 0.90 UTS2R (0.60) UTS2RKDM4EGAAMEN1KMT2A
SCHEMBL4659439 0.86 KDM4E (0.67) UTS2RKDM4EGAARAB9AMEN1
SCHEMBL4660820 0.86 KDM4E (0.67) UTS2RKDM4EGAARAB9AMEN1
SCHEMBL5642916 0.86 KDM4E (0.67) UTS2RKDM4EGAARAB9AMEN1
SCHEMBL27791608 0.85 ROCK1 (0.72) UTS2RKDM4EGAAMEN1KMT2A
SCHEMBL15093362 0.84 TACR3 (0.51) KDM4ETACR3TSHRALDH1A1LMNA
SCHEMBL574487 0.84 TACR3 (0.51) KDM4EMEN1KMT2ATACR3TSHR
SCHEMBL10740986 0.83 GSK3B (0.56) UTS2RKDM4EGAAMEN1KMT2A
SCHEMBL29114056 0.83 KDM4E (0.55) UTS2RKDM4EGAAMEN1KMT2A
SCHEMBL2408717 0.83 NPC1 (0.63) UTS2RNPC1RAB9APRKACACDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049691-B1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
US-6413979-B1 ANTAGONISTS TO ENDOTHELINS; VASODILATORS AND BRONCHODILATORS; SYNTHESIS ROUTES; HYPERTENSION, ASTHMA, RAYNAUD'S DISEASE, RENAL AND HEART FAILURE, ANGINA, DIABETES, CEREBRAL INFARC-TION AND VASOSPASM, ARTERIOSCLEROSIS, RESTENOSIS, PROSTATISM BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1049691-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999037639-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed