SCHEMBL7735

SCHEMBL7735

Cc1noc(-c2ccc(Br)cc2)c1/C(=C\CCCO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7197 0.84 TBXAS1 (0.39) MAPT
SCHEMBL1736 0.78 NR1H4 (0.35) MEN1KMT2AMAPTRAB9A
SCHEMBL4758 0.75 IP6K1 (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL3368 0.74 IP6K1 (0.39) MEN1KMT2ABACE1
SCHEMBL7129 0.68 BRD4 (0.36) MEN1KMT2ANPC1MAPTPOLB
SCHEMBL6617 0.66 HDAC1 (0.39) MEN1KMT2A
SCHEMBL1294 0.66 MEN1 (0.34) MEN1KMT2ANPC1MAPTNPSR1
SCHEMBL1784 0.65 ALDH1A1 (0.40) MEN1KMT2ABACE1NPC1MAPT
SCHEMBL1633 0.65 NR1H4 (0.33) NPC1MAPTNPSR1POLB
SCHEMBL8250811 0.64 PTPN1 (0.36) MEN1KMT2ANPC1MAPTNPSR1

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed