SCHEMBL18896296

SCHEMBL18896296

CCC(C)C(C)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.59
KMT2A Q03164 4/20 0.58
MME P08473 1/20 0.54
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
SLC1A2 P43004 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.51
MMP8 P22894 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL18896295 0.91 BACE1 (0.55) ANPEPKMT2AMMEMEN1ALDH1A1
SCHEMBL18896440 0.87 ERAP2 (0.60) ANPEPKMT2AMME
SCHEMBL12251345 0.84 KMT2A (0.63) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL4746610 0.84 ANPEP (0.57) ANPEPKMT2AMMEMEN1ALDH1A1
SCHEMBL7432155 0.84 ANPEP (0.57) ANPEPKMT2AMMEMEN1ALDH1A1
SCHEMBL8155147 0.84 ANPEP (0.57) ANPEPKMT2AMMEMEN1ALDH1A1
SCHEMBL21233754 0.83 KMT2A (0.61) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL21233885 0.83 KMT2A (0.61) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL1516159 0.83 MME (0.65) ANPEPKMT2AMMEMEN1ALDH1A1
SCHEMBL10031574 0.83 MME (0.65) ANPEPKMT2AMMEMEN1ALDH1A1

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-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed