SCHEMBL11317899

SCHEMBL11317899

CC(O)N(C(C)O)C(C)O.CCc1sc2nc(C(=O)O)cn2c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 7/20 0.32
NPC1 O15118 5/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL11319174 0.89 MAPT (0.36) MAPTMEN1KMT2ALMNARAB9A
Trolamine SCHEMBL11315015 0.82 MEN1 (0.35) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL11317902 0.80 HPGD (0.32) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11314056 0.78 L3MBTL1 (0.40) MAPTRAB9ANPC1HSD17B10CYP1A2
SCHEMBL11314005 0.75 GAA (0.50) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11314026 0.72 RAB9A (0.39) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL11317904 0.67 GAA (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL16426548 0.66 SMN1; SMN2 (0.36) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL11330451 0.65 GAA (0.48) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL15349513 0.62 TP53 (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53

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
US-4267339-A ANTIDIABETIC AGENTS PLANTEX LTD. (IL) 1981-05-12 US claimed