SCHEMBL2637759

SCHEMBL2637759

COc1cccc(NC(=O)c2c(=O)[nH]n3c(=O)cc(C4CC4)[nH]c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.47
RAB9A P51151 5/20 0.47
RXFP1 Q9HBX9 1/20 0.44
SLC11A2 P49281 1/20 0.44
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
GRM5 P41594 1/20 0.42
TOP2A P11388 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2637806 0.82 SLC22A12 (0.40) RAB9ANPC1KMT2AMAPTHPGD
SCHEMBL20914193 0.68 SLC11A2 (0.49) STAT1RAB9ASLC11A2NPC1SMN1; SMN2
SCHEMBL2637269 0.65 SLC22A12 (0.41) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2637204 0.65 NPC1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL10055020 0.64 NPC1 (0.94) RAB9ARXFP1NPC1SMN1; SMN2KMT2A
SCHEMBL4909326 0.64 STAT1 (0.56) STAT1RAB9ARXFP1NPC1SMN1; SMN2
SCHEMBL4720318 0.64 MTNR1A (0.82) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2637246 0.63 MAPK10 (0.41) RAB9AKMT2AMAPTMEN1
SCHEMBL4251968 0.63 RXFP1 (0.94) RAB9ARXFP1NPC1SMN1; SMN2KMT2A
SCHEMBL30862297 0.63 RXFP1 (0.94) RAB9ARXFP1NPC1SMN1; SMN2KMT2A

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-2438070-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed