SCHEMBL2777352

SCHEMBL2777352

CSc1ccc(CC(C)(C)NC(=O)CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2779027 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL15261415 0.83 HPGD (0.57) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL12802344 0.83 L3MBTL1 (0.58) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL4938661 0.81 KDM4E (0.56) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL4862640 0.81 LMNA (0.47) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL5913849 0.81 CYP3A4 (0.59) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL5034363 0.80 L3MBTL1 (0.48) HTTTSHRMEN1KMT2AEPHX2
SCHEMBL2780716 0.79 HPGD (0.39) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL25342779 0.79 LMNA (0.46) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL3242672 0.78 RAB9A (0.45) TSHRMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010103429-A1 1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists PFIZER INC. (US) 2010-09-16 WO disclosed
WO-2010103429-A1 1,1-(Dimethyl-Ethylamino)-2-Hydroxy-Propoxy]-Ethyl}-3-Methyl-Biphenyl-4- Carboxylic Acid Derivatives As Calcium Receptor Antagonists PFIZER INC. (US) 2010-09-16 WO disclosed