SCHEMBL7366041

SCHEMBL7366041

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.55
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
KDM4E B2RXH2 3/20 0.47
CDC25B P30305 1/20 0.47
POLB P06746 1/20 0.47
BCL2L1 Q07817 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
SCHEMBL7362825 0.86 VCAM1 (0.54) VCAM1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL7368939 0.85 TSHR (0.58) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL1285789 0.82 VCAM1 (0.74) VCAM1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL18249786 0.80 VCAM1 (0.66) VCAM1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL7359436 0.79 TP53 (0.57) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL18249777 0.78 VCAM1 (0.71) VCAM1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL9383490 0.77 MAPT (0.66) VCAM1SMN1; SMN2HTTALDH1A1MAPT
4-Chloro-3-Nitrobenzoic Acid SCHEMBL28165768 0.77 VCAM1 (0.74) VCAM1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1258621 0.77 VCAM1 (1.00) VCAM1SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL18249860 0.77 VCAM1 (0.61) VCAM1SMN1; SMN2HTTALDH1A1MAPT

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