SCHEMBL5597308

SCHEMBL5597308

N#Cc1nccc(CCCCCc2ncc[nH]2)c1OCc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.36
TBXAS1 P24557 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
XDH P47989 1/20 0.31
BCAT2 O15382 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
SCHEMBL7206821 0.78 NAMPT (0.36) NAMPTTBXAS1KDM4EMAPTRAB9A
SCHEMBL5597451 0.76 HTT (0.39) NAMPTTBXAS1MAPTTAAR1MEN1
SCHEMBL4642038 0.71 NAMPT (0.36) NAMPTTBXAS1MAPTRAB9ATAAR1
SCHEMBL5597307 0.69 PPARG (0.33) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL5597420 0.68 MRGPRX4 (0.40) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4642509 0.67 MRGPRX4 (0.42) KDM4EMAPTCYP1A2CYP2C9MAPK1
SCHEMBL5597314 0.67 LRRK2 (0.37) TBXAS1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4642071 0.67 LRRK2 (0.39) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL9370644 0.66 CHRM2 (0.46) NAMPTTBXAS1HSD17B10TAAR1MEN1
SCHEMBL11297722 0.65 TAAR1 (0.43) NAMPTTBXAS1RAB9ATAAR1NPC1

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