SCHEMBL5335838

SCHEMBL5335838

CCC(Cc1ccc(Cl)cc1)n1ncc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.42
RECQL P46063 1/20 0.40
RAB9A P51151 3/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
ALOX5AP P20292 1/20 0.39
KMO O15229 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HCRTR2 O43614 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
NOD2 Q9HC29 2/20 0.36
TNF P01375 1/20 0.36
CXCL8 P10145 1/20 0.36
SOS1 Q07889 1/20 0.36
NOD1 Q9Y239 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3374567 0.79 SLC6A2 (0.43) HDAC8RECQLRAB9AGALR3NR2F2
SCHEMBL20181741 0.74 ASAH1 (0.42) RECQLKMOPDE10ASMN1; SMN2LMNA
SCHEMBL3862440 0.71 RECQL (0.42) HDAC8RECQLRAB9AKMOPDE10A
SCHEMBL21591511 0.70 RECQL (0.41) HDAC8RECQLRAB9AKMOPDE10A
SCHEMBL1135534 0.70 RECQL (0.77) RECQLRAB9AGALR3NR2F2KMO
SCHEMBL30376517 0.69 ASAH1 (0.42) RECQLKMOPDE10ASMN1; SMN2LMNA
SCHEMBL22810558 0.68 ASAH1 (0.44) RECQLSLC6A2
SCHEMBL878425 0.67 RECQL (0.43) RECQLRAB9AKMOPDE10ASMN1; SMN2
SCHEMBL29350890 0.67 RECQL (0.43) RECQLRAB9AKMOPDE10ASMN1; SMN2
SCHEMBL4785130 0.67 ADRB2 (0.37) HDAC8RECQLRAB9AALOX5APKMO

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-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed