SCHEMBL9260905

SCHEMBL9260905

O=[N+]([O-])c1cc[n+]([O-])cc1NC1CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PRKCQ Q04759 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PDPK1 O15530 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FADS1 O60427 1/20 0.40
BRS3 P32247 1/20 0.39
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN8A Q9UQD0 2/20 0.38
POLB P06746 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL14247603 0.78 KDM4E (0.45) ALDH1A1KDM4EPRKCQCA1CA2
SCHEMBL28511892 0.77 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL28058849 0.76 MAPT (0.49) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL8543534 0.74 PRKCQ (0.51) ALDH1A1KDM4EPRKCQCA1CA2
SCHEMBL11118897 0.72 PDPK1 (0.56) ALDH1A1KDM4ECA1CA2PDPK1
SCHEMBL20242526 0.72 MAPT (0.60) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL2905886 0.71 PRKCQ (0.48) ALDH1A1KDM4EPRKCQPDPK1MEN1
SCHEMBL2905882 0.71 PRKCQ (0.48) ALDH1A1KDM4EPRKCQPDPK1MEN1
SCHEMBL30806338 0.71 MEN1 (0.46) ALDH1A1KDM4EPRKCQCA1CA2
SCHEMBL4217697 0.71 CTSV (0.54) ALDH1A1KDM4EMEN1KMT2ATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405856-A Skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US claimed
US-5405856-A Skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US disclosed
US-5221682-A Skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-22 US disclosed
US-5034403-A Topical antiinflammatory agents for skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-07-23 US disclosed
US-4983615-A ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-08 US disclosed
EP-0405425-A2 Heteroarylamino- and heteroaryloxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4970219-A TOPICAL ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed