SCHEMBL5597307

SCHEMBL5597307

CCCCC(c1ncc[nH]1)c1ccnc(C#N)c1OCc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCAT2 O15382 1/20 0.32
KCNH2 Q12809 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
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
FPR2 P25090 1/20 0.31
XDH P47989 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL7206819 0.80 XDH (0.35) PPARGPPARAKDM4EMAPTBCAT2
SCHEMBL5597450 0.79 PLK1 (0.37) PPARGPPARAMAPTF2RL1CA1
SCHEMBL2351990 0.75 CYP17A1 (0.40) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL4642034 0.74 PPARG (0.33) PPARGPPARAMAPTKCNH2NPC1
SCHEMBL5597308 0.69 NAMPT (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL19642925 0.67 CYP1A2 (0.44) ALDH1A1F2RL1MMP2FPR2
SCHEMBL10686017 0.67 CYP19A1 (0.45) PPARGHSD17B10
SCHEMBL4642508 0.65 MRGPRX4 (0.39) KDM4EALDH1A1MAPTKCNH2
SCHEMBL5597418 0.65 MRGPRX4 (0.36) KDM4EALDH1A1MAPTKCNH2
SCHEMBL4642066 0.65 CCR5 (0.39) MAPTFPR2XDH

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-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS 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