SCHEMBL7364978

SCHEMBL7364978

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX12 P18054 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AGTR1 P30556 2/20 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 0.88 VCAM1 (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7368939 0.87 TSHR (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7362977 0.84 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7365348 0.81 KMT2A (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7369534 0.79 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7368450 0.78 L3MBTL1 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7366038 0.78 KDM4E (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7367891 0.77 MEN1 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL193275 0.77 TSHR (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30443852 0.77 TSHR (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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