SCHEMBL18848618

SCHEMBL18848618

CN1CCN(C(=O)[C@H](COCCN)NC(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
KDM1A O60341 2/20 0.51
POLB P06746 2/20 0.49
UGCG Q16739 11/20 0.49
P2RY12 Q9H244 2/20 0.46
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL16455122 0.95 UGCG (0.51) KMT2AUGCGCYP3A4
SCHEMBL16455068 0.89 KDM1A (0.46) KMT2AKDM1AP2RY12MAPK1
SCHEMBL16455167 0.88 KDM1A (0.52) KMT2AKDM1APOLBUGCGP2RY12
SCHEMBL16455175 0.88 UGCG (0.50) KDM1AUGCG
SCHEMBL18848470 0.87 HPGD (0.47) KMT2APOLBMAPK1
SCHEMBL16455120 0.86 UGCG (0.49) KDM1AUGCGCYP3A4
SCHEMBL18848697 0.85 UGCG (0.52) KMT2AUGCGP2RY12CYP3A4
SCHEMBL16455072 0.83 KDM1A (0.60) KMT2AKDM1APOLBP2RY12
SCHEMBL16455176 0.82 UGCG (0.53) UGCGP2RY12CYP3A4
SCHEMBL16455030 0.79 UGCG (0.51) KDM1AUGCG

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-2017079753-A1 LYSINE-SPECIFIC HISTONE DEMETHYLASE AS A NOVEL THERAPEUTIC TARGET IN MYELOPROLIFERATIVE NEOPLASMS IMAGO BIOSCIENCES, INC. (US) 2017-05-11 WO disclosed