SCHEMBL9853586

SCHEMBL9853586

COc1ccc(Oc2c[n+]([O-])ccc2[N+](=O)[O-])c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR84 Q9NQS5 1/20 0.44
MAPT P10636 5/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
BRCA1 P38398 1/20 0.37
HNF4A P41235 1/20 0.37
HIF1A Q16665 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 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
SCHEMBL9853604 0.86 LMNA (0.54) L3MBTL1ALDH1A1TDP1GPR84MAPT
SCHEMBL2885107 0.83 ALDH1A1 (0.55) L3MBTL1ALDH1A1TDP1MAPTHPGD
SCHEMBL9853588 0.83 PIN1 (0.49) L3MBTL1ALDH1A1TDP1GPR84MAPT
SCHEMBL9853789 0.78 MERTK (0.48) L3MBTL1ALDH1A1TDP1MAPTHPGD
SCHEMBL2556917 0.78 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4377981 0.77 MEN1 (0.48) L3MBTL1ALDH1A1TDP1MAPTHPGD
SCHEMBL11547238 0.77 HPGD (0.68) L3MBTL1ALDH1A1TDP1MAPTHPGD
SCHEMBL589908 0.75 ALDH1A1 (0.61) L3MBTL1ALDH1A1TDP1MAPTLMNA
SCHEMBL9853579 0.75 PIN1 (0.47) L3MBTL1ALDH1A1TDP1GPR84MAPT
SCHEMBL7055435 0.72 ALDH1A1 (0.45) ALDH1A1TDP1MAPTHPGDSMN1; SMN2

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