SCHEMBL18109

SCHEMBL18109

COCOc1ccc(Cc2cc(Br)ccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 10/20 0.40
SLC5A1 P13866 7/20 0.39
MAOB P27338 3/20 0.35
AR P10275 1/20 0.35
MAOA P21397 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
APP P05067 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL37829 0.85 SLC5A2 (0.51) SLC5A2SLC5A1
SCHEMBL180996 0.84 SLC5A1 (0.46) SLC5A2SLC5A1MAOBFPR1FPR2
SCHEMBL15397883 0.84 HTR2A (0.42) SLC5A2SLC5A1
SCHEMBL15748708 0.82 PKM (0.47) SLC5A2SLC5A1KMT2AMEN1HTT
SCHEMBL1009096 0.80 MAOB (0.51) MAOBAPP
SCHEMBL1010022 0.77 ALDH1A1 (0.44) SLC5A2SLC5A1MAOBKMT2AMEN1
SCHEMBL1457143 0.77 SLC5A2 (0.35) SLC5A2SLC5A1MAOBARMAOA
SCHEMBL37695 0.76 KDM4E (0.44) SLC5A2SLC5A1
SCHEMBL25986811 0.75 LTA4H (0.50) APPHTTL3MBTL1
SCHEMBL590310 0.75 ALDH1A1 (0.44) MAOBAPPKMT2AMEN1HTT

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-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed