SCHEMBL4780182

SCHEMBL4780182

O=C(c1ccccc1)C1CN(C(CO)CO)CC(C(=O)c2ccccc2)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RORC P51449 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SLC18A3 Q16572 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 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
SCHEMBL4025606 1.00 KMT2A (0.39) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4024300 1.00 KMT2A (0.39) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4774735 0.84 MEN1 (0.39) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4019872 0.82 KMT2A (0.37) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4026119 0.78 SLC18A3 (0.45) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4024282 0.78 SLC18A3 (0.45) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4022028 0.77 KMT2A (0.61) KMT2AMEN1ALDH1A1GAASLC6A2
SCHEMBL4776685 0.76 RORC (0.43) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4020589 0.76 RORC (0.43) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4777699 0.76 MEN1 (0.45) KMT2AMEN1RORCCYP1A2CYP3A4

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