SCHEMBL4768759

SCHEMBL4768759

Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)N(C2CCCNCC2=O)S(=O)(=O)c2ccccc2F)oc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
CAPN1 P07384 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.32
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4768763 1.00 RXFP1 (0.37) RXFP1NPC1RAB9ACAPN1SMN1; SMN2
SCHEMBL4770541 0.88 NPC1 (0.36) NPC1RAB9ACAPN1SMN1; SMN2KMT2A
SCHEMBL4825080 0.88 L3MBTL1 (0.39) NPC1RAB9ACAPN1SMN1; SMN2KMT2A
SCHEMBL4825088 0.88 L3MBTL1 (0.39) NPC1RAB9ACAPN1SMN1; SMN2KMT2A
SCHEMBL4765494 0.87 CTSK (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL4761995 0.86 MAPT (0.43) NPC1RAB9ACAPN1KMT2AKDM4E
SCHEMBL4761996 0.86 MAPT (0.43) NPC1RAB9ACAPN1KMT2AKDM4E
SCHEMBL4763006 0.86 NPC1 (0.36) NPC1RAB9ACAPN1SMN1; SMN2KMT2A
SCHEMBL4762064 0.86 RAB9A (0.38) RXFP1NPC1RAB9ACAPN1SMN1; SMN2
SCHEMBL7161728 0.86 L3MBTL1 (0.36) NPC1RAB9ACAPN1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed