SCHEMBL17423151

SCHEMBL17423151

CN(C)CCCNc1c2ccc(Cl)cc2nc2ccc(O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
SLC2A1 P11166 1/20 0.57
APOBEC3A P31941 1/20 0.57
RAD52 P43351 1/20 0.57
RAB9A P51151 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
CYP1A2 P05177 2/20 0.57
TSHR P16473 1/20 0.57
ADORA2A P29274 1/20 0.56
ERCC1 P07992 2/20 0.53
ERCC4 Q92889 2/20 0.53
FERMT2 Q96AC1 1/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MBNL1 Q9NR56 1/20 0.52
TERT O14746 2/20 0.50
GSR P00390 6/20 0.48
FLT3 P36888 3/20 0.46

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
SCHEMBL15061348 0.86 ADORA2A (0.72) KMT2ANPC1POLBSLC2A1APOBEC3A
SCHEMBL7880375 0.86 ADORA2A (0.60) KMT2AADORA2AERCC1ERCC4MEN1
SCHEMBL18231328 0.84 ADORA2A (0.52) KMT2ANPC1RAB9ACYP1A2TSHR
SCHEMBL1153515 0.83 MBNL1 (0.71) KMT2ANPC1POLBRAB9ACYP1A2
SCHEMBL7874381 0.81 ADORA2A (0.78) KMT2AADORA2AMEN1TDP1MBNL1
SCHEMBL18163879 0.80 ADORA2A (0.72) KMT2ANPC1POLBRAB9ACYP1A2
SCHEMBL22912486 0.79 MBNL1 (0.59) KMT2ANPC1POLBRAB9ACYP1A2
SCHEMBL18163843 0.78 MBNL1 (0.70) KMT2ANPC1POLBRAB9ACYP1A2
SCHEMBL7875783 0.78 ACHE (0.63) MBNL1
Trifluoroacetic Acid SCHEMBL7878018 0.78 ADORA2A (0.52) KMT2AADORA2AERCC1ERCC4MEN1

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-2016005979-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS IN HONEYBEES THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2016-01-14 WO disclosed