SCHEMBL5597451

SCHEMBL5597451

Clc1ccc(COc2cnccc2CCCCCc2ncc[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TBXAS1 P24557 2/20 0.38
NAMPT P43490 2/20 0.38
SLC6A4 P31645 3/20 0.36
RHEB Q15382 1/20 0.36
PLK1 P53350 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MPO P05164 1/20 0.34
ABCB1 P08183 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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 0.81 NAMPT (0.36) HTTTBXAS1NAMPTSLC6A4MPO
SCHEMBL9791518 0.81 PTGDR2 (0.46) HTTMEN1KMT2ARHEBPLK1
SCHEMBL4642038 0.81 NAMPT (0.36) HTTMEN1KMT2ATBXAS1NAMPT
SCHEMBL5597308 0.76 NAMPT (0.36) HTTMEN1KMT2ATBXAS1NAMPT
SCHEMBL9370644 0.69 CHRM2 (0.46) HTTMEN1KMT2ATBXAS1NAMPT
SCHEMBL503743 0.67 TBXAS1 (0.69) TBXAS1TAAR1SMN1; SMN2
SCHEMBL28062565 0.67 TBXAS1 (0.69) TBXAS1TAAR1SMN1; SMN2
SCHEMBL11701063 0.67 TAAR1 (0.53) TAAR1SMN1; SMN2
SCHEMBL5597450 0.67 PLK1 (0.37) HTTMEN1KMT2ARHEBPLK1
SCHEMBL8200191 0.67 TBXAS1 (0.51) TBXAS1TAAR1LMNASMN1; SMN2

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