SCHEMBL28107332

SCHEMBL28107332

CN1CCN(C(=O)N2CCN(C)CC2)CC1.O=C(c1ccccc1)c1ccc([N+](=O)[O-])c(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ VCAM1 P19320 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ SIRT6 Q8N6T7 2/20 0.39
▸ WDR5 P61964 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL16982335 0.84 L3MBTL1 (0.51) LMNASMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL28107004 0.77 MAPK1 (0.58) LMNAMAPK1ALDH1A1MAPTVCAM1
SCHEMBL16982489 0.74 L3MBTL1 (0.52) ALDH1A1GAAHPGDSIRT6BLM
SCHEMBL31003858 0.74 CASP6 (0.63) LMNA
SCHEMBL16974724 0.74 CASP6 (0.63) LMNA
SCHEMBL20225770 0.74 MEN1 (0.54) LMNASMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL11456145 0.72 SMN1; SMN2 (0.82) LMNASMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL3988487 0.71 AR (0.54) LMNAALDH1A1MAPTVCAM1HPGD
SCHEMBL31003842 0.71 AR (0.54) LMNAALDH1A1MAPTVCAM1HPGD
Hydrochloric Acid SCHEMBL11726620 0.71 SMN1; SMN2 (0.80) LMNASMN1; SMN2MAPK1ALDH1A1MAPT

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
CN-105980388-A Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2016-09-28 — — CN disclosed
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