SCHEMBL9841885

SCHEMBL9841885

CC(C)(C)c1cc(Nc2ncccn2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 3/20 0.40
MAPT P10636 3/20 0.40
HPN P05981 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL3126822 0.84 ALDH1A1 (0.46) ALDH1A1GAATDP1CA2CA1
SCHEMBL10574173 0.83 ALDH1A1 (0.42) ALDH1A1GAATDP1CA2CA1
SCHEMBL9842110 0.81 SYK (0.44) ALDH1A1GAATDP1CA2CA1
SCHEMBL6131350 0.81 ALDH1A1 (0.46) ALDH1A1GAATDP1CA2CA1
SCHEMBL18459329 0.80 CA2 (0.61) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841907 0.77 ALDH1A1 (0.42) ALDH1A1GAATDP1CA2CA1
SCHEMBL9123037 0.77 ALDH1A1 (0.36) ALDH1A1GAATDP1LMNAKDM4E
SCHEMBL10870243 0.76 NFKB1 (0.45) ALDH1A1GAATDP1CA2CA1
SCHEMBL11613891 0.76 ALDH1A1 (0.45) ALDH1A1GAATDP1CA2CA1
SCHEMBL10869800 0.76 NPC1 (0.46) 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 4 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-5059598-A Antiinflammatory agents; lipoxygenase inhibitors; arthritis; asthma OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-10-22 US disclosed
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