SCHEMBL8933307

SCHEMBL8933307

CN(C(=O)O)[C@H](Cc1ccccc1)c1nnc(C(N)=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
NPY5R Q15761 1/20 0.36
EPHX1 P07099 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6600320 0.85 ALDH1A1 (0.42) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6601868 0.77 TACR1 (0.45) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6600521 0.74 GHSR (0.39) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8933305 0.72 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2GAACYP2D6ATM
SCHEMBL6600314 0.69 ALDH1A1 (0.48) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7064891 0.68 EPHX1 (0.50) HPGDMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3826537 0.66 RAB9A (0.51) HPGDKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15521866 0.66 TACR1 (0.49) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15522052 0.66 TACR1 (0.49) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11588617 0.65 ADRA2B (0.61) HPGDCYP2D6NPY5RPKMKDM4E

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-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed