SCHEMBL4772583

SCHEMBL4772583

CNC(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2cccc(C)c2C)[C@@H](C(=O)c2ccccc2)C1.Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N3CCN(C)CC3)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TERT O14746 1/20 0.35
GAA P10253 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL4021223 0.94 KMT2A (0.42) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4021226 0.94 KMT2A (0.42) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4028149 0.90 MEN1 (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4028145 0.90 MEN1 (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4028188 0.90 MEN1 (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4023694 0.86 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4021972 0.86 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4021968 0.86 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4022026 0.83 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4020222 0.83 MAPT (0.39) MEN1KMT2AMAPTLMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed