SCHEMBL8843322

SCHEMBL8843322

CC(CCC(N)=O)CNCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.42
BCHE P06276 1/20 0.42
PRMT1 Q99873 1/20 0.42
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL8843532 0.88 FOLH1 (0.49) ANPEPALDH1A1MAPTKMT2AMEN1
SCHEMBL8842991 0.85 LMNA (0.46) ALDH1A1KMT2AMEN1L3MBTL1HDAC3
SCHEMBL8843501 0.84 ANPEP (0.50) ANPEPALDH1A1MAPTKMT2AMEN1
SCHEMBL13151639 0.83 ANPEP (0.53) ANPEPALDH1A1MAPTKMT2AMEN1
SCHEMBL1515643 0.79 ALDH1A1 (0.50) ANPEPALDH1A1MAPTKMT2AMEN1
SCHEMBL28228765 0.79 EPHX1 (0.47) KMT2AMEN1CYP1A2CYP2D6
SCHEMBL9407510 0.78 MEN1 (0.56) ANPEPALDH1A1MAPTKMT2AMEN1
Carbamic Acid SCHEMBL7552207 0.78 ANPEP (0.57) ANPEPALDH1A1MAPTKMT2AMEN1
SCHEMBL20417941 0.77 ALDH1A1 (0.47) ANPEPALDH1A1MAPTKMT2AMEN1
SCHEMBL22052987 0.77 ALDH1A1 (0.47) ANPEPALDH1A1MAPTKMT2AMEN1

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed