SCHEMBL4776822

SCHEMBL4776822

Cc1cccc([C@H]2[C@@H](C(=O)c3ccccc3)CN(CCN3CCOCC3)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL4780063 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4777781 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4894830 0.97 POLB (0.44) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4894834 0.97 POLB (0.44) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4795657 0.97 POLB (0.44) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4021786 0.89 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL4026128 0.89 MEN1 (0.45) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4026132 0.89 MEN1 (0.45) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL4022022 0.88 MEN1 (0.45) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL4022026 0.88 MEN1 (0.45) ALDH1A1KMT2AMAPTMEN1L3MBTL1

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 4 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
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