SCHEMBL19782899

SCHEMBL19782899

CC(C)OC(=O)c1sc(N(O)c2ncccn2)nc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL19783110 0.80 LMNA (0.35) LMNAALDH1A1HPGDALOX5KDM4E
SCHEMBL19783004 0.80 LMNA (0.34) LMNAALDH1A1HPGDALOX5KDM4E
SCHEMBL19783003 0.78 ADORA3 (0.41) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL19782897 0.74 CDC7 (0.38) ALDH1A1HPGDKDM4ESMN1; SMN2KMT2A
SCHEMBL15993672 0.73 LMNA (0.38) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL19782716 0.73 CDC7 (0.39) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL19782898 0.70 ALDH1A1 (0.39) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL19782724 0.69 CDC7 (0.33) ALDH1A1HPGDKDM4EKMT2ANPC1
SCHEMBL18236334 0.68 ALDH1A1 (0.69) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL3403482 0.68 LMNA (0.62) LMNAALDH1A1HPGDKDM4EKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed