SCHEMBL9853588

SCHEMBL9853588

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 2/20 0.40
PTGES O14684 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPRT1 P00492 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.37

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
SCHEMBL9853586 0.83 L3MBTL1 (0.51) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL20222275 0.82 ALDH1A1 (0.65) PIN1ALDH1A1MAPTRECQLHTT
SCHEMBL9853604 0.82 LMNA (0.54) PIN1ALDH1A1MAPTLMNAGPR84
SCHEMBL11547238 0.81 HPGD (0.68) PIN1ALDH1A1MAPTRECQLHTT
SCHEMBL4377981 0.79 MEN1 (0.48) PIN1ALDH1A1MAPTRECQLLMNA
SCHEMBL9853579 0.78 PIN1 (0.47) PIN1ALDH1A1MAPTRECQLHTT
SCHEMBL10423034 0.77 ALDH1A1 (0.56) PIN1ALDH1A1MAPTRECQLHTT
SCHEMBL10422427 0.75 ALDH1A1 (0.68) PIN1ALDH1A1MAPTRECQLHTT
SCHEMBL9853598 0.74 MAPT (0.36) ALDH1A1MAPTRECQLLMNAL3MBTL1
SCHEMBL27713193 0.72 HSPB1 (0.66) PIN1ALDH1A1MAPTHTTLMNA

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
US-4931457-A Naphthylamino-and naphthyloxy-pyridinamine comounds useful as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-05 US claimed
EP-0405426-A2 Naphthylamino- and naphthyloxy-pyridinamines and related compounds, a process for their preparation and their use as dermatological agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4931457-A Naphthylamino-and naphthyloxy-pyridinamine comounds useful as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-05 US disclosed