SCHEMBL4748993

SCHEMBL4748993

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccnc2)CN(C)C[C@H]1C(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SLC18A3 Q16572 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CCKBR P32239 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
HDAC4 P56524 1/20 0.36

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 1.00 MEN1 (0.44) MEN1KMT2AMAPK1POLBTSHR
SCHEMBL4749102 0.89 POLB (0.36) MEN1KMT2APOLBTSHRSLC18A3
SCHEMBL4749099 0.86 POLB (0.38) MEN1KMT2APOLBTSHRCYP2D6
SCHEMBL4749101 0.86 POLB (0.38) MEN1KMT2APOLBTSHRCYP2D6
SCHEMBL4749058 0.85 EED (0.37) KMT2AMAPK1POLBTSHRSLC18A3
SCHEMBL4749061 0.85 EED (0.37) KMT2AMAPK1POLBTSHRSLC18A3
SCHEMBL4748988 0.84 MEN1 (0.38) MEN1KMT2AMAPK1POLBTSHR
SCHEMBL4752708 0.82 MEN1 (0.43) MEN1KMT2AMAPK1CYP2D6TAAR1
SCHEMBL4749422 0.78 HPGD (0.34) KMT2ATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL4026176 0.77 KMT2A (0.39) MEN1KMT2AMAPK1CYP2D6TAAR1

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