SCHEMBL8975016

SCHEMBL8975016

CC(O)(O)c1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
GPR35 Q9HC97 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PDE7A Q13946 1/20 0.44
TSHR P16473 4/20 0.42
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 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
SCHEMBL4514236 0.86 TDP1 (0.48) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL11794427 0.83 TDP1 (0.46) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL11791465 0.80 TDP1 (0.43) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL28303063 0.79 ALDH1A1 (0.46) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL2537553 0.75 TDP1 (0.42) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL18286925 0.75 TDP1 (0.58) TDP1GPR35SMN1; SMN2TSHRHSD17B10
2-Nitroaniline SCHEMBL27642189 0.74 PDE7A (0.56) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL190550 0.72 TDP1 (0.72) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL1029956 0.72 GPR35 (0.72) TDP1GPR35SMN1; SMN2PDE7ATSHR
SCHEMBL29448254 0.71 TDP1 (0.60) TDP1GPR35SMN1; SMN2PDE7ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398620-B1 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RES CORP (US) 1996-04-17 EP disclosed
US-5135972-A For polymeric substrates MILLIKEN RESEARCH CORPORATION (US) 1992-08-04 US disclosed
EP-0398620-A2 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RESEARCH CORPORATION (US) 1990-11-22 EP disclosed