SCHEMBL16455167

SCHEMBL16455167

CNCCOC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.52
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.48
UGCG Q16739 10/20 0.48
P2RY12 Q9H244 2/20 0.45
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL26148531 0.89 HPGD (0.48) KDM1AKMT2AP2RY12
SCHEMBL18848618 0.88 KMT2A (0.51) KDM1AKMT2APOLBUGCGP2RY12
SCHEMBL26148540 0.83 KDM1A (0.61) KDM1AKMT2APOLBP2RY12
SCHEMBL26148692 0.83 UGCG (0.52) UGCGCYP3A4
SCHEMBL16455122 0.83 UGCG (0.51) KMT2AUGCGCYP3A4
SCHEMBL18848697 0.80 UGCG (0.52) KMT2AUGCGP2RY12CYP3A4
SCHEMBL22856676 0.80 KDM1A (0.51) KDM1AUGCG
SCHEMBL18059488 0.79 UGCG (0.46) KDM1AUGCGCYP3A4
SCHEMBL19466089 0.79 UGCG (0.46) KDM1AUGCGCYP3A4
SCHEMBL20781392 0.78 KDM1A (0.49) 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-2015021128-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC. (US) 2015-02-12 WO disclosed