SCHEMBL18848469

SCHEMBL18848469

C=C(N[C@@H](CSCCN)C(=O)N1CCN(C)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM1A O60341 4/20 0.43
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM1 P11229 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.37
GRM5 P41594 1/20 0.37
NPC1 O15118 1/20 0.37
HDAC1 Q13547 1/20 0.37
CCKBR P32239 1/20 0.36
FASN P49327 1/20 0.36

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
SCHEMBL18848747 0.89 KDM1A (0.46) POLBKDM1A
SCHEMBL16455162 0.82 MMP8 (0.40) POLBKMT2AKDM4EHSD17B10NPC1
SCHEMBL16455069 0.80 KDM1A (0.51) KDM1ANPC1
SCHEMBL18848758 0.79 KDM1A (0.45) POLBKDM1A
SCHEMBL16455067 0.78 HPGD (0.47) POLBKMT2AMAPK1KDM4EHSD17B10
SCHEMBL18848613 0.78 KDM1A (0.46) KDM1A
SCHEMBL16455031 0.75 NPC1 (0.47) KMT2ANPC1HDAC1
SCHEMBL18848433 0.74 NPC1 (0.46) KMT2ANPC1HDAC1
SCHEMBL16455072 0.74 KDM1A (0.60) POLBKMT2AKDM1A
SCHEMBL18848618 0.72 KMT2A (0.51) POLBKMT2AKDM1AMAPK1

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