SCHEMBL4792902

SCHEMBL4792902

CN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.O=C(c1ccccc1)C1CN(Cc2ccccc2)CC(C(=O)c2ccccc2)C1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.58
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
S1PR5 Q9H228 3/20 0.47
S1PR1 P21453 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
EP300 Q09472 1/20 0.43
FUCA1 P04066 2/20 0.42
GRIN2B Q13224 1/20 0.41

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
SCHEMBL4022773 0.93 RORC (0.64) RORCKMT2AMEN1S1PR5S1PR1
SCHEMBL4772415 0.93 RORC (0.64) RORCKMT2AMEN1S1PR5S1PR1
SCHEMBL4772392 0.92 RORC (0.51) RORCKMT2AMEN1ALDH1A1GAA
SCHEMBL4022028 0.88 KMT2A (0.61) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL6998474 0.83 RORC (0.68) RORCKMT2AMEN1S1PR5S1PR1
SCHEMBL16033505 0.81 RORC (0.83) RORCKMT2AMEN1S1PR5S1PR1
SCHEMBL4772340 0.81 KMT2A (0.48) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL5478523 0.80 RORC (0.61) RORCKMT2AMEN1S1PR5S1PR1
SCHEMBL5478531 0.80 RORC (0.61) RORCKMT2AMEN1S1PR5S1PR1
SCHEMBL5478527 0.80 RORC (0.61) RORCKMT2AMEN1S1PR5S1PR1

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