SCHEMBL9543916

SCHEMBL9543916

O=C(O)C1Cc2ccc3ccccc3c2CN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
RCE1 Q9Y256 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
GRIA2 P42262 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL9543569 0.83 KDM4E (0.56) ANPEPMAPTGAAKDM4EALDH1A1
SCHEMBL6990855 0.75 KDM4E (0.57) ANPEPMAPTGAAKDM4EALDH1A1
SCHEMBL29350888 0.74 GAA (0.58) MAPTGAAEGLN1MEN1KMT2A
SCHEMBL29398238 0.74 GAA (0.58) MAPTGAAEGLN1MEN1KMT2A
SCHEMBL288260 0.74 GAA (0.58) MAPTGAAEGLN1MEN1KMT2A
SCHEMBL29350565 0.74 GAA (0.58) MAPTGAAEGLN1MEN1KMT2A
SCHEMBL288272 0.74 GAA (0.58) MAPTGAAEGLN1MEN1KMT2A
SCHEMBL43168 0.74 GAA (0.58) MAPTGAAEGLN1MEN1KMT2A
SCHEMBL23036790 0.74 EGLN1 (0.44) MAPTGAAEGLN1GRIA2
SCHEMBL9548214 0.74 GAA (0.46) MAPTGAAEGLN1GRIA2

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed