SCHEMBL9853579

SCHEMBL9853579

O=[N+]([O-])c1cc[n+]([O-])cc1Oc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
RCE1 Q9Y256 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
F10 P00742 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAPGEF3 O95398 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9853587 0.87 ALDH1A1 (0.37) PIN1SMN1; SMN2LMNAMAPTHTT
SCHEMBL4377981 0.84 MEN1 (0.48) PIN1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8486512 0.81 PIN1 (0.55) PIN1SMN1; SMN2LMNAMAPTHTT
SCHEMBL4381239 0.80 MEN1 (0.51) SMN1; SMN2LMNAMAPTALDH1A1F10
SCHEMBL4376514 0.79 LMNA (0.42) SMN1; SMN2LMNAMAPTHTTALDH1A1
SCHEMBL9853789 0.79 MERTK (0.48) SMN1; SMN2LMNAMAPTHTTALDH1A1
SCHEMBL4375480 0.79 PDE7A (0.49) SMN1; SMN2LMNAMAPTALDH1A1GPR84
SCHEMBL7055435 0.79 ALDH1A1 (0.45) SMN1; SMN2LMNAMAPTHTTALDH1A1
SCHEMBL9853588 0.78 PIN1 (0.49) PIN1LMNAMAPTHTTALDH1A1
SCHEMBL9390091 0.78 HPGD (0.54) PIN1SMN1; SMN2LMNAMAPTHTT

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