SCHEMBL4777699

SCHEMBL4777699

C[C@@H](CO)N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(c2ccc(C(=O)c3ccc(C4CN([C@@H](C)CO)CC(C(=O)c5ccccc5)C4c4ccccc4)cc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RORC P51449 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM2B Q8NHM5 3/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4774735 0.76 MEN1 (0.39) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4021407 0.76 RORC (0.45) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4018682 0.76 RORC (0.45) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4780182 0.76 KMT2A (0.39) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4024300 0.76 KMT2A (0.39) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4025606 0.76 KMT2A (0.39) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4024451 0.69 RORC (0.43) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4774167 0.69 RORC (0.43) MEN1KMT2ARORCCYP1A2CYP3A4
SCHEMBL4022028 0.68 KMT2A (0.61) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL28585318 0.68 HDAC4 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed