SCHEMBL5597450

SCHEMBL5597450

CCCCC(c1ncc[nH]1)c1ccncc1OCc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
RHEB Q15382 1/20 0.35
ATM Q13315 1/20 0.35
F2RL1 P55085 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 1/20 0.33
CA9 Q16790 1/20 0.33
TACR2 P21452 1/20 0.33
GCGR P47871 1/20 0.32
CYP3A4 P08684 1/20 0.32

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 0.83 XDH (0.35) PLK1MEN1KMT2AHTTPPARG
SCHEMBL4642034 0.82 PPARG (0.33) MEN1KMT2AHTTPPARGPPARA
SCHEMBL9791533 0.80 PLK1 (0.42) PLK1MEN1KMT2AHTTPPARG
SCHEMBL9791462 0.80 PLK1 (0.42) PLK1MEN1KMT2AHTTPPARG
SCHEMBL5597307 0.79 PPARG (0.33) PPARGPPARAF2RL1MAPTCA1
SCHEMBL2353622 0.73 CYP17A1 (0.43) PLK1MEN1KMT2AHTTLMNA
SCHEMBL19642925 0.70 CYP1A2 (0.44) F2RL1SMN1; SMN2MMP2CYP3A4CYP2C9
SCHEMBL9791518 0.69 PTGDR2 (0.46) PLK1MEN1KMT2AHTTRHEB
SCHEMBL5597451 0.67 HTT (0.39) PLK1MEN1KMT2AHTTRHEB
SCHEMBL9791516 0.66 ALDH1A1 (0.41) PLK1HTTATMSMN1; SMN2L3MBTL1

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 3 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