SCHEMBL11540587

SCHEMBL11540587

CNC(=O)O/N=C1\CCOc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 7/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PLA2G1B P04054 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
RAB9A P51151 3/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
CASP6 P55212 1/20 0.35
HPGD P15428 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
SCHEMBL11539391 1.00 NOTUM (0.40) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11540152 0.86 LMNA (0.41) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11540155 0.86 LMNA (0.41) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12609459 0.85 NOTUM (0.43) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11540354 0.84 MTNR1A (0.41) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11539890 0.83 NOTUM (0.47) NOTUMALDH1A1MAPTL3MBTL1MEN1
SCHEMBL11539893 0.83 NOTUM (0.47) NOTUMALDH1A1MAPTL3MBTL1MEN1
SCHEMBL11540672 0.82 KDM4E (0.41) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11539728 0.82 NPSR1 (0.55) NOTUMALDH1A1MAPTL3MBTL1MEN1
SCHEMBL11540675 0.82 KDM4E (0.41) NOTUMALDH1A1SMN1; SMN2MAPTL3MBTL1

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-4169097-A GASTRIC ANTISECRETORY AGENTS MORTON-NORWICH PRODUCTS, INC. (US) 1979-09-25 US claimed