SCHEMBL9502638

SCHEMBL9502638

O=Cc1cccnc1CCCCCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
HCAR2 Q8TDS4 4/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
FAAH O00519 1/20 0.42
HPGD P15428 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TBXAS1 P24557 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES1 P23141 1/20 0.40

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
SCHEMBL17595558 0.82 TRIM24 (0.48) KDM4ETRIM24TRIM33HPGDMEN1
SCHEMBL4564967 0.81 L3MBTL1 (0.45) KDM4ETRIM24TRIM33MEN1KMT2A
SCHEMBL250162 0.79 TRIM24 (0.46) KDM4ETRIM24TRIM33HPGDMEN1
SCHEMBL13278055 0.76 KDM4E (0.53) KDM4EHCAR2DAGLAMAPTMEN1
SCHEMBL13277607 0.76 KDM4E (0.53) KDM4EHCAR2DAGLAMAPTMEN1
SCHEMBL13278076 0.76 KDM4E (0.53) KDM4EHCAR2DAGLAMAPTMEN1
SCHEMBL9142138 0.75 SIGMAR1 (0.50) SIGMAR1MAPTRXFP1MEN1KMT2A
SCHEMBL7091261 0.75 SIGMAR1 (0.50) SIGMAR1MAPTRXFP1MEN1KMT2A
SCHEMBL26143989 0.75 TRIM24 (0.48) KDM4ETRIM24TRIM33HPGDMEN1
SCHEMBL6000358 0.74 ALDH1A1 (0.65) SIGMAR1HPGDMAPTMEN1KMT2A

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
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed