SCHEMBL28752736

SCHEMBL28752736

Brc1ccccc1Cc1cncs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 7/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
IDO1 P14902 2/20 0.40
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ADCY10 Q96PN6 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL9389496 0.73 SLC6A3 (0.49) LMNASLC6A3SLC6A2SLC6A4TDP1
SCHEMBL7001903 0.72 NPC1 (0.54) LMNATSHRTAAR1IDO1
SCHEMBL8703610 0.71 TAAR1 (0.64) TSHRTAAR1IDO1
SCHEMBL29930048 0.71 TAAR1 (0.64) TSHRTAAR1IDO1
SCHEMBL28752735 0.70 EPHX2 (0.50) LMNASLC6A3SLC6A2SLC6A4TAAR1
SCHEMBL27605819 0.69 TAAR1 (0.42) MAPTTSHRTAAR1IDO1
SCHEMBL4758082 0.68 ADRA1D (0.51) LMNAMAPTTSHRHTTSLC6A3
SCHEMBL9710124 0.67 CYP3A4 (0.48) TSHRSLC6A3SLC6A2TDP1ADCY10
SCHEMBL28550049 0.66 KMT2A (0.47) MAPTTSHRTAAR1IDO1
SCHEMBL23223243 0.66 SLC6A3 (0.43) SLC6A3SLC6A2IDO1ADCY10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100593401-C Combination of an aromatase inhibitor with a bisphosphonate NOVARTIS AG 2010-03-10 CN disclosed
CN-100377710-C Aromatase inhibition to enhance assisted reproduction ARES TRADE INC (CH) 2008-04-02 CN disclosed
CN-1671371-A Combination of an aromatase inhibitor with a bisphosphonate NOVARTIS AG (CH) 2005-09-21 CN disclosed
CN-1551789-A Single dose aromatase inhibitor for treating infertility ����˹ó�׹ɷ����޹�˾ 2004-12-01 CN disclosed
CN-1549734-A Aromatase inhibitors for enhancing assisted reproduction ����˹ó�׹ɷ����޹�˾ 2004-11-24 CN disclosed