SCHEMBL8076752

SCHEMBL8076752

CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDE P14735 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PLA2G1B P04054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MITF O75030 1/20 0.38

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
SCHEMBL8084676 0.89 CCNC (0.46) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL8088222 0.88 DRD2 (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL8084900 0.88 SMN1; SMN2 (0.46) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL8088254 0.87 ADRA2A (0.51) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL8084112 0.86 MAPT (0.48) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8089904 0.86 LMNA (0.51) MEN1KMT2AIDEALDH1A1MAPT
SCHEMBL8084826 0.85 NPC1 (0.50) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL8084820 0.85 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL8084144 0.85 TLR9 (0.41) MEN1KMT2AIDEALDH1A1MAPT
SCHEMBL8084675 0.85 SMN1; SMN2 (0.44) MEN1KMT2ANPC1ALDH1A1MAPT

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed