SCHEMBL7366038

SCHEMBL7366038

COC(=O)c1cccnc1C(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 4/20 0.48
COMT P21964 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAP2K1 Q02750 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7367891 0.91 MEN1 (0.52) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL7368513 0.88 TDP1 (0.50) KDM4ETDP1ALDH1A1COMTL3MBTL1
SCHEMBL7360249 0.88 KDM4E (0.51) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL7364891 0.88 TDP1 (0.56) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL10480570 0.87 CYP1A2 (0.51) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL7369472 0.87 TDP1 (0.46) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL7368578 0.87 CA1 (0.51) KDM4ETDP1ALDH1A1L3MBTL1HTT
SCHEMBL7369036 0.85 TDP1 (0.44) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL7362977 0.85 ALDH1A1 (0.45) KDM4ETDP1ALDH1A1L3MBTL1MAP2K1
SCHEMBL7362610 0.83 ALDH1A1 (0.61) KDM4ETDP1ALDH1A1COMTL3MBTL1

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