SCHEMBL4795657

SCHEMBL4795657

Cc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)CN(CCCN3CCOCC3)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4894830 1.00 POLB (0.44) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4894834 1.00 POLB (0.44) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4780063 0.97 ALDH1A1 (0.46) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4777781 0.97 ALDH1A1 (0.46) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4776822 0.97 ALDH1A1 (0.46) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4772529 0.90 KCNH2 (0.43) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL4780151 0.90 KCNH2 (0.43) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL4019805 0.89 ALDH1A1 (0.41) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4022602 0.86 POLB (0.41) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL4775780 0.86 KCNH2 (0.40) ALDH1A1KMT2AKCNH2

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