SCHEMBL20078883

SCHEMBL20078883

CCN(CC)c1ccc2c(c1)OC1=CC(N(CC)CC)C=CC1=C2c1ccc(NC(=S)NC)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ GAA P10253 5/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RAB9A P51151 7/20 0.34
▸ NPC1 O15118 6/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 4/20 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
SCHEMBL3267635 0.84 MEN1 (0.41) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL17342821 0.84 APLNR (0.33) APLNR
SCHEMBL16489114 0.79 CA12 (0.36) MAPTALDH1A1GAAMAPK1HTT
SCHEMBL12118354 0.79 MAPT (0.35) MAPTALDH1A1GAAHTTRAB9A
SCHEMBL9000066 0.78 SMN1; SMN2 (0.40) MAPTALDH1A1GAAKDM4ERAB9A
SCHEMBL18760512 0.78 RAB9A (0.36) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL12515075 0.77 CA1 (0.34) ALDH1A1KDM4C
SCHEMBL12093970 0.75 ALDH1A1 (0.36) MAPTALDH1A1MAPK1KDM4ERAB9A
SCHEMBL7120029 0.74 SMN1; SMN2 (0.39) MAPTALDH1A1GAAKDM4ERAB9A
SCHEMBL14039656 0.74 ALDH1A1 (0.35) MAPTALDH1A1GAAKDM4ERAB9A

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-9951085-B2 Labeled chemically reactive and biologically active comjugates, and methods and compositions thereof SUN YI (US) 2018-04-24 — — US disclosed
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