SCHEMBL11212433

SCHEMBL11212433

O=C(O)OCCNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.41
EPHX1 P07099 2/20 0.41
TP53 P04637 1/20 0.40
EPHX2 P34913 1/20 0.40
CDK9 P50750 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL8894563 0.85 MAPT (0.47) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL5950512 0.85 KDM4E (0.52) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL15577833 0.85 LMNA (0.51) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL11674113 0.83 NPSR1 (0.67) ALDH1A1NPSR1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL1066414 0.83 KDM4E (0.51) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL16039243 0.83 HCAR2 (0.51) MAPTALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL12088129 0.83 TDP1 (0.61) MAPTALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL11674769 0.83 ALDH1A1 (0.45) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL11662001 0.82 MAPT (0.53) MAPTALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL8894146 0.82 MAPT (0.44) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2

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
EP-0036116-B1 METHOD OF PREPARING AZO DYESTUFFS BAYER AG (DE) 1983-05-18 EP disclosed