SCHEMBL4777704

SCHEMBL4777704

Cc1ccc(C(C(N)=O)c2ccc(N(Cc3ccccc3Cl)[S+](C)[O-])cc2)o1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.33
ALOX5 P09917 1/20 0.32
PGR P06401 1/20 0.31
THRB P10828 1/20 0.31
PYCR1 P32322 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4777639 0.81 GAA (0.44) MEN1KMT2ATP53MAPT
SCHEMBL4836320 0.77 P2RX7 (0.43)
SCHEMBL4774945 0.70 NAMPT (0.39)
SCHEMBL4777390 0.69 HTR2A (0.34) MEN1KMT2APGRPYCR1MAPT
SCHEMBL4767792 0.68 MAPT (0.38) MAPT
SCHEMBL4793814 0.64 P2RY14 (0.45) MEN1KMT2AMAPT
SCHEMBL4771116 0.63 GAA (0.43) MEN1KMT2ATP53ALOX5MAPT
SCHEMBL4770634 0.63 NPC1 (0.52) MEN1KMT2AMAPT
SCHEMBL4777345 0.61 GAA (0.55) MEN1KMT2ATP53MAPT
SCHEMBL4769726 0.61 POLB (0.44) MEN1KMT2ATP53THRBMAPT

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed