SCHEMBL17580692

SCHEMBL17580692

CCc1cccc2nc(C)c(C(=O)O)n12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE5A O76074 1/20 0.38
MAPT P10636 1/20 0.37
F11 P03951 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 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
SCHEMBL7829888 0.81 HTT (0.53) MAPK1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL8377547 0.80 KMT2A (0.44) MAPK1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL7825354 0.78 HTT (0.46) MAPK1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL1582221 0.72 GRIN1 (0.44) MAPK1GRIN1GRIN2AHTTPDE5A
SCHEMBL17437974 0.72 POLB (0.41) GRIN1GRIN2AKMT2AALDH1A1GAA
SCHEMBL27701766 0.72 GRIN1 (0.34) MAPK1KDM4ENPSR1HSD17B10GRIN1
SCHEMBL18131803 0.71 GRIN1 (0.39) HSD17B10GRIN1GRIN2AALDH1A1GAA
SCHEMBL18131842 0.71 GRIN1 (0.39) GRIN1GRIN2AALDH1A1SMN1; SMN2PDE5A
SCHEMBL27395034 0.71 HTT (0.49) MAPK1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL9753967 0.70 PTGS1 (0.33) KDM4EHSD17B10KMT2AALDH1A1GAA

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-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed