SCHEMBL14503540

SCHEMBL14503540

COc1cc2c(cc1Nc1nc(N3CCCCC3)nc(N3CCCCC3)n1)oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.59
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 4/20 0.59
HPGD P15428 4/20 0.59
NPSR1 Q6W5P4 4/20 0.56
HTT P42858 5/20 0.55
GAA P10253 5/20 0.51
POLB P06746 5/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
GBA1 P04062 5/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL5376496 0.85 MAPT (0.47) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL6493482 0.72 MAPT (0.60) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL6490197 0.72 MAPT (0.60) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14503208 0.71 MAPT (0.69) MAPTLMNANPSR1HTTMAPK1
SCHEMBL6493235 0.71 KMT2A (0.61) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8923080 0.70 KMT2A (0.64) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14503638 0.70 MAPT (0.53) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL14503190 0.68 HTT (0.64) MAPTALDH1A1NPSR1HTTUSP2
SCHEMBL6239397 0.68 GBA1 (0.62) MAPTKDM4ELMNAHPGDNPSR1
SCHEMBL6238044 0.68 GBA1 (0.62) MAPTKDM4ELMNAHPGDNPSR1

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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed