SCHEMBL5172602

SCHEMBL5172602

[CH2][C@@](C)(N)C(=O)Nc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.65
KMT2A Q03164 10/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
NPC1 O15118 6/20 0.65
MAPT P10636 8/20 0.61
KDM4E B2RXH2 6/20 0.61
HPGD P15428 3/20 0.61
ALDH1A1 P00352 3/20 0.61
STAT1 P42224 1/20 0.61
GFER P55789 1/20 0.61
SMO Q99835 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
SREBF2 Q12772 1/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL4983716 0.87 MEN1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4983710 0.87 MEN1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL27700978 0.86 MEN1 (0.63) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL27700976 0.86 MEN1 (0.63) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4982097 0.81 S1PR1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4982107 0.81 S1PR1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14106378 0.79 KMT2A (0.69) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14457064 0.77 MEN1 (0.73) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4979410 0.76 RAB9A (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4979402 0.76 RAB9A (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 WO disclosed