SCHEMBL14503296

SCHEMBL14503296

COc1ccccc1CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.63
▸ ALOX15 P16050 3/20 0.63
▸ GAA P10253 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ HTT P42858 3/20 0.63
▸ TSHR P16473 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ NPSR1 Q6W5P4 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ GBA1 P04062 5/20 0.57
▸ KDM1A O60341 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RCOR1 Q9UKL0 1/20 0.53
▸ MEN1 O00255 2/20 0.52

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
SCHEMBL14503314 0.85 LMNA (0.58) MAPTALOX15ALDH1A1HTTTSHR
SCHEMBL14503358 0.84 MAPT (0.65) MAPTALOX15GAAHTTTSHR
SCHEMBL27786579 0.82 LMNA (0.60) MAPTALOX15GAAALDH1A1HTT
Hydrochloric Acid SCHEMBL3641122 0.81 LMNA (0.61) MAPTALOX15GAAALDH1A1HTT
SCHEMBL5401209 0.81 GAA (0.47) MAPTALOX15GAAALDH1A1HTT
SCHEMBL14503262 0.78 ACHE (0.65) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL13947036 0.78 PIK3CA (0.60) MAPTALOX15GAAALDH1A1HTT
SCHEMBL14503870 0.77 NPSR1 (0.54) MAPTGAAALDH1A1HTTTSHR
SCHEMBL2460137 0.77 L3MBTL1 (1.00) MAPTALOX15GAAALDH1A1HTT
SCHEMBL13944374 0.77 PIK3CA (0.58) MAPTALOX15GAAALDH1A1HTT

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
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