SCHEMBL7362825

SCHEMBL7362825

COC(=O)c1cccnc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.54
MAPT P10636 7/20 0.54
LMNA P02545 7/20 0.54
HTT P42858 6/20 0.54
NPSR1 Q6W5P4 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPK1 P28482 4/20 0.54
NPC1 O15118 3/20 0.54
MITF O75030 3/20 0.54
ALDH1A1 P00352 2/20 0.54
RAF1 P04049 1/20 0.54
HPGD P15428 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
OPRK1 P41145 1/20 0.48
ALOX12 P18054 1/20 0.47

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
SCHEMBL7364978 0.88 MAPT (0.52) MAPTLMNANPSR1SMN1; SMN2MAPK1
SCHEMBL7366041 0.86 VCAM1 (0.60) VCAM1MAPTLMNAHTTNPSR1
SCHEMBL1467163 0.83 HTT (0.73) VCAM1MAPTLMNAHTTNPSR1
SCHEMBL7365348 0.81 KMT2A (0.51) MAPTLMNAHTTNPSR1SMN1; SMN2
SCHEMBL51755 0.78 LMNA (0.72) VCAM1MAPTLMNAHTTMAPK1
SCHEMBL7362970 0.77 MEN1 (0.49) MAPTLMNAHTTNPSR1SMN1; SMN2
SCHEMBL1466306 0.77 HTT (0.58) VCAM1MAPTLMNAHTTNPSR1
SCHEMBL7367891 0.76 MEN1 (0.52) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7362977 0.76 ALDH1A1 (0.45) MAPTLMNAHTTSMN1; SMN2NPC1
SCHEMBL7370453 0.76 ALOX15 (0.50) HTTSMN1; SMN2NPC1ALDH1A1HPGD

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-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed