SCHEMBL5047637

SCHEMBL5047637

Nc1ccc(Cl)cc1C(CO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CRHR2 Q13324 1/20 0.40
KMT2A Q03164 3/20 0.40
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GFER P55789 1/20 0.40
CYP3A4 P08684 4/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL8111566 0.84 RECQL (0.43) LMNAMAPTMAPK1KMT2AIDO1
SCHEMBL6264184 0.80 GAA (0.52) LMNAMAPTHPGDKMT2AIDO1
Alcohol SCHEMBL10905551 0.80 KMT2A (0.39) LMNAMAPTHPGDCRHBPMAPK1
SCHEMBL31016250 0.79 SMN1; SMN2 (0.42) MAPTHPGDMAPK1KMT2AIDO1
SCHEMBL9567857 0.79 SMN1; SMN2 (0.42) MAPTHPGDMAPK1KMT2AIDO1
SCHEMBL11449400 0.79 IDO1 (0.53) LMNAMAPTMAPK1KMT2AIDO1
SCHEMBL31016248 0.79 SMN1; SMN2 (0.42) MAPTHPGDMAPK1KMT2AIDO1
SCHEMBL28043797 0.79 CYP3A4 (0.45) HPGDMAPK1KMT2AIDO1TDO2
SCHEMBL9644445 0.78 HTR2A (0.43) LMNAMAPTSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL3833310 0.77 CYP3A4 (0.43) KMT2AIDO1TDO2SMN1; SMN2GFER

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-2007741-A1 ENANTIOMERICALLY PURE S-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE Xytis Inc. (US) 2008-12-31 EP disclosed
WO-2007109288-A2 ENANTIOMERICALLY PURE R-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE XYTIS INC. (US) 2007-09-27 WO disclosed
WO-2007109289-A1 ENANTIOMERICALLY PURE S-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE XYTIS INC. (US) 2007-09-27 WO disclosed