SCHEMBL8548496

SCHEMBL8548496

O=[N+]([O-])c1cnccc1Nc1ccc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HTT P42858 2/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 1/20 0.54
EGFR P00533 2/20 0.48
MAPT P10636 1/20 0.47
LRRK2 Q5S007 3/20 0.47
FGFR2 P21802 1/20 0.45
FLT3 P36888 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
FLT1 P17948 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATR Q13535 1/20 0.40
SYK P43405 1/20 0.39
HSF1 Q00613 1/20 0.39
BCL6 P41182 1/20 0.39
BCOR Q6W2J9 1/20 0.39

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
SCHEMBL8542362 0.90 EGFR (0.48) ALDH1A1HTTRAB9AGAAEGFR
SCHEMBL7369825 0.79 MAPK1 (0.49) ALDH1A1EGFRMAPTMAOAMAOB
SCHEMBL29706723 0.79 ALDH1A1 (0.55) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL8548736 0.78 FGFR2 (0.55) EGFRFGFR2FLT3MAOAMAOB
SCHEMBL21449905 0.77 AHR (0.49) RAB9AEGFRMAPTLRRK2MAOA
SCHEMBL7367851 0.76 LRRK2 (0.58) RAB9AEGFRMAPTLRRK2MEN1
SCHEMBL2975973 0.76 PRKCQ (0.55) EGFRLRRK2FGFR2FLT3MAOA
SCHEMBL16657362 0.76 ALDH1A1 (0.60) ALDH1A1HTTRAB9AGAAEGFR
SCHEMBL8877814 0.76 MAPT (0.54) ALDH1A1RAB9AEGFRMAPTFGFR2
SCHEMBL8543006 0.76 FGFR2 (0.55) EGFRFGFR2FLT3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4970219-A TOPICAL ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US claimed
EP-0405425-B1 Heteroarylamino- and heteroaryloxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-08-12 EP disclosed
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