SCHEMBL2669898

SCHEMBL2669898

CCCCCC(C)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1oc2ccc(N3CCOCC3)cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CB P42338 1/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 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
SCHEMBL2669961 0.92 MEN1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2669769 0.85 NAMPT (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2PIK3CB
SCHEMBL9070790 0.85 NAMPT (0.34) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2669893 0.84 PRSS1 (0.35) KMT2ANPC1RAB9AL3MBTL1
SCHEMBL2669960 0.84 GCG (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2669895 0.83 ESR1 (0.42) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL2669989 0.83 NAMPT (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL2669834 0.82 GCG (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13069831 0.81 NPC1 (0.33) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2669896 0.81 TP53 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed