SCHEMBL10577907

SCHEMBL10577907

CC(C)(C)c1cc(Nc2c[nH]nn2)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 8/20 0.38
PTGS2 P35354 6/20 0.38
HPN P05981 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL9122556 0.80 ALDH1A1 (0.34) ALDH1A1GAATDP1
SCHEMBL18459329 0.75 CA2 (0.61) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841894 0.75 ALDH1A1 (0.42) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841782 0.73 KDR (0.48) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841907 0.72 ALDH1A1 (0.42) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841866 0.72 CA2 (0.43) ALDH1A1GAATDP1CA2CA1
SCHEMBL9842148 0.71 ALDH1A1 (0.41) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841664 0.71 ALDH1A1 (0.50) ALDH1A1GAATDP1CA2CA1
SCHEMBL9842198 0.69 PTGS1 (0.44) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841770 0.69 ALDH1A1 (0.40) ALDH1A1GAATDP1CA2CA1

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-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP claimed
US-4868183-A ANTIINFLAMMATORY, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-09-19 US disclosed
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP disclosed