SCHEMBL8084606

SCHEMBL8084606

CC(C)(C)OC(=O)Nc1ccc(C(=O)CSc2ccnc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
NAMPT P43490 1/20 0.44
DNMT1 P26358 2/20 0.42
DNMT3A Q9Y6K1 2/20 0.42
CYP17A1 P05093 2/20 0.42
IDO1 P14902 1/20 0.42
DNMT3L Q9UJW3 1/20 0.42
MAP4K4 O95819 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL8088227 0.86 DNMT1 (0.44) MAPTALDH1A1LMNARAB9ADNMT1
SCHEMBL8088287 0.84 CYP17A1 (0.46) RAB9ANAMPTDNMT1DNMT3ACYP17A1
SCHEMBL8084739 0.80 ALDH1A1 (0.60) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL8088268 0.78 HSD17B10 (0.50) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL8084900 0.77 SMN1; SMN2 (0.46) MAPTALDH1A1LMNANAMPTKMT2A
SCHEMBL8076734 0.77 HDAC6 (0.47) MAPTALDH1A1LMNARAB9ADNMT1
SCHEMBL8084102 0.76 HTR2C (0.53) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL8084757 0.76 ALDH1A1 (0.49) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL8084097 0.76 HTR2C (0.48) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL7082250 0.76 NAMPT (0.51) NAMPTDNMT1DNMT3ADNMT3LMAP4K4

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