SCHEMBL9853604

SCHEMBL9853604

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
GAA P10253 1/20 0.50
GPR84 Q9NQS5 6/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ESRRA P11474 4/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PIN1 Q13526 1/20 0.37
MEN1 O00255 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL9853586 0.86 L3MBTL1 (0.51) LMNAMAPTGAAGPR84HPGD
SCHEMBL11547238 0.84 HPGD (0.68) LMNAMAPTGAAHPGDKMT2A
SCHEMBL9853588 0.82 PIN1 (0.49) LMNAMAPTGAAGPR84HPGD
SCHEMBL4377981 0.76 MEN1 (0.48) LMNAMAPTHPGDKMT2ANPC1
SCHEMBL4375480 0.74 PDE7A (0.49) LMNAMAPTGPR84HPGDKMT2A
SCHEMBL9853579 0.74 PIN1 (0.47) LMNAMAPTGAAGPR84HPGD
SCHEMBL14884422 0.73 TDP1 (0.46) GPR84KMT2AALDH1A1MEN1MAPK1
SCHEMBL4383031 0.73 EPAS1 (0.44) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL4381239 0.73 MEN1 (0.51) LMNAMAPTHPGDKMT2AALDH1A1
SCHEMBL11033209 0.73 LMNA (0.58) LMNAMAPTGAAHPGDKMT2A

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