SCHEMBL4087920

SCHEMBL4087920

N#Cc1ccc(N(CCO)C(N)=S)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
IDO1 P14902 3/20 0.37
MLYCD O95822 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
MMP2 P08253 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP19A1 P11511 3/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL3973752 0.77 ALDH1A1 (0.46) KMT2ANOS3NOS1
SCHEMBL4096326 0.77 POLB (0.36) NPC1IDO1MLYCDNOS1
SCHEMBL11816669 0.77 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL10532358 0.76 NPC1 (0.59) MEN1KMT2ANPC1
SCHEMBL3972855 0.75 SMN1; SMN2 (0.47) MEN1KMT2AIDO1MLYCD
SCHEMBL3971781 0.75 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL16746567 0.74 CA2 (0.43) MEN1KMT2ALOXL2CA12CA2
SCHEMBL15484291 0.74 ALDH1A1 (0.54) MEN1KMT2AIDO1LOXL2NOS3
SCHEMBL3973730 0.74 ADRA2A (0.46) PARP10
SCHEMBL3969996 0.73 MLYCD (0.43) MEN1KMT2AIDO1MLYCDNOS3

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-2009053448-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed