SCHEMBL4642034

SCHEMBL4642034

CCCCC(c1ncc[nH]1)c1cc[n+]([O-])cc1OCc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
F2RL1 P55085 5/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP2 P08253 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
TACR2 P21452 1/20 0.31
GPR84 Q9NQS5 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5597450 0.82 PLK1 (0.37) PPARGPPARAF2RL1CA1CA2
SCHEMBL7206819 0.76 XDH (0.35) PPARGPPARAMAPTL3MBTL1LMNA
SCHEMBL2353686 0.75 CYP17A1 (0.40) LMNAMEN1KMT2ATACR2CYP1A2
SCHEMBL5597307 0.74 PPARG (0.33) PPARGPPARAF2RL1CA1CA2
SCHEMBL4642038 0.69 NAMPT (0.36) MAPTL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL19642925 0.67 CYP1A2 (0.44) F2RL1MMP2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14880753 0.63 CYP1A2 (0.42) F2RL1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4640765 0.63 FPR2 (0.40) SMN1; SMN2NPC1RAB9A
SCHEMBL5597310 0.63 FPR2 (0.44) PPARACYP2C9
SCHEMBL5597175 0.63 FPR2 (0.38) F2RL1MAPTHTTSMN1; SMN2NPC1

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
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed