SCHEMBL4748988

SCHEMBL4748988

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccnc2)CN(C)C[C@@H]1c1cncc(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.33
HDAC4 P56524 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4749201 0.84 MEN1 (0.44) MEN1KMT2AMAPK1POLBHDAC4
SCHEMBL4749102 0.74 POLB (0.36) MEN1KMT2APOLBHDAC4TSHR
SCHEMBL4749101 0.72 POLB (0.38) MEN1KMT2APOLBTSHR
SCHEMBL4749099 0.72 POLB (0.38) MEN1KMT2APOLBTSHR
SCHEMBL4749058 0.71 EED (0.37) KMT2AMAPK1POLBTSHR
SCHEMBL4749061 0.71 EED (0.37) KMT2AMAPK1POLBTSHR
SCHEMBL4752708 0.69 MEN1 (0.43) MEN1KMT2AMAPK1
SCHEMBL4752869 0.65 MEN1 (0.40) MEN1KMT2AMAPK1
SCHEMBL4751351 0.65 MEN1 (0.40) MEN1KMT2AMAPK1
SCHEMBL4749182 0.65 MGLL (0.39) MEN1KMT2AMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed