SCHEMBL16693254

SCHEMBL16693254

C=CC(=O)OCCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NME4 O00746 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
ADORA2A P29274 1/20 0.53
AVPR2 P30518 1/20 0.53
AGTR1 P30556 1/20 0.53
SLC6A4 P31645 1/20 0.53
AVPR1A P37288 1/20 0.53
HTR3A P46098 1/20 0.53
GCDH Q92947 1/20 0.53
SLC29A1 Q99808 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PRKCG P05129 1/20 0.39

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
SCHEMBL16693328 0.90 SIRT5 (0.41) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL16693250 0.86 THRB (0.41) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL16693300 0.86 MAPT (0.43) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL16693232 0.85 SIRT5 (0.52) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL16693324 0.84 RAB9A (0.38) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL16693326 0.84 APP (0.42) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL16693277 0.81 PTGES (0.42) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL28504974 0.79 SMN1; SMN2 (0.61) NPSR1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL16693311 0.79 NME4 (0.44) SIRT5TDP1NME4ADORA3CHRM1
SCHEMBL3694658 0.78 L3MBTL1 (0.34) TDP1NPSR1HPGDALDH1A1LMNA

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
WO-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed