SCHEMBL20536799

SCHEMBL20536799

N#CCC(=O)N1CCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.47
IDO1 P14902 3/20 0.46
NAMPT P43490 1/20 0.46
TMPRSS2 O15393 1/20 0.45
KCNH2 Q12809 2/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL20537077 0.90 USP30 (0.49) KMT2ATDP1SMN1; SMN2MAPTNAMPT
SCHEMBL20537054 0.87 KMT2A (0.57) KMT2ATDP1SMN1; SMN2MAPTIDO1
SCHEMBL1951535 0.84 KMT2A (0.48) KMT2ATDP1TMPRSS2POLBLMNA
SCHEMBL20537300 0.84 SMN1; SMN2 (0.53) KMT2ATDP1SMN1; SMN2MAPTIDO1
SCHEMBL20536802 0.83 KDM4E (0.53) KMT2ATDP1SMN1; SMN2MAPTNAMPT
SCHEMBL1788003 0.76 SMN1; SMN2 (0.53) KMT2ATDP1SMN1; SMN2MAPTIDO1
SCHEMBL1787760 0.74 MAPT (0.50) KMT2ATDP1SMN1; SMN2MAPTIDO1
SCHEMBL1787758 0.74 HRH3 (0.53) KMT2ATDP1SMN1; SMN2MAPTIDO1
SCHEMBL20537078 0.74 HSD17B3 (0.53) KMT2ATDP1SMN1; SMN2MAPTTMPRSS2
SCHEMBL20536415 0.73 L3MBTL1 (0.53) KMT2ATDP1SMN1; SMN2MAPTNAMPT

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
EP-2438055-B1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS JAPAN TOBACCO INC (JP) 2018-10-24 EP claimed