SCHEMBL2641070

SCHEMBL2641070

Cn1cnc(S(=O)(=O)O)c1.O=C(CO)N1CCc2cc(NCc3ccc(Cl)cc3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
FLT3 P36888 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B3 P37058 1/20 0.38
TMPRSS2 O15393 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
ACVR1 Q04771 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
WEE1 P30291 1/20 0.36
BTK Q06187 1/20 0.35
ITGB2 P05107 1/20 0.35

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
SCHEMBL1950276 0.84 KMT2A (0.52) KMT2ATDP1ALDH1A1LMNAHSD17B3
SCHEMBL2641159 0.78 NPC1 (0.41) KMT2ALMNANPC1RAB9AGFER
SCHEMBL1949362 0.78 LMNA (0.45) KMT2AALDH1A1LMNAMEN1GAA
SCHEMBL1950717 0.78 KMT2A (0.49) KMT2ATDP1NAMPTALDH1A1LMNA
SCHEMBL2640599 0.76 PARP1 (0.43) KMT2ALMNANPC1RAB9AGFER
SCHEMBL14871648 0.76 HSD17B3 (0.54) KMT2ATDP1ALDH1A1LMNAHSD17B3
SCHEMBL14871702 0.74 KDM4E (0.60) KMT2ATDP1ALDH1A1LMNAHSD17B3
SCHEMBL1951535 0.73 KMT2A (0.48) KMT2ATDP1ALDH1A1LMNAHSD17B3
SCHEMBL1951421 0.73 LMNA (0.43) KMT2AALDH1A1LMNAMEN1
SCHEMBL2635196 0.71 NPC1 (0.38) KMT2AFLT3LMNANPC1RAB9A

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-2438055-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2012-04-11 EP claimed
WO-2010139967-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2010-12-09 WO claimed