SCHEMBL9853600

SCHEMBL9853600

O=[N+]([O-])c1cnccc1Oc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.56
ALDH1A1 P00352 5/20 0.49
MAPT P10636 7/20 0.47
HTT P42858 5/20 0.47
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL20222275 0.84 ALDH1A1 (0.65) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL11274397 0.80 HPGD (0.69) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL3597295 0.80 HSPB1 (0.59) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL10423034 0.78 ALDH1A1 (0.56) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL9853797 0.78 ALDH1A1 (0.51) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL1306618 0.77 ALDH1A1 (0.46) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL10422427 0.76 ALDH1A1 (0.68) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL27713193 0.76 HSPB1 (0.66) PIN1ALDH1A1MAPTHTTLMNA
SCHEMBL9853590 0.75 CYP3A4 (0.46) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL5794256 0.74 ALDH1A1 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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