SCHEMBL7366979

SCHEMBL7366979

CN(C)C(=O)c1ccc(-c2ncccc2C(=O)O)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
NAPRT Q6XQN6 2/20 0.38
SLC40A1 Q9NP59 1/20 0.37
HTT P42858 1/20 0.37
KCNA5 P22460 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.37
LRRK2 Q5S007 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7367688 0.87 KDM4E (0.54) KDM4ETDP1NAPRTHTTALDH1A1
SCHEMBL7369692 0.84 KDM4E (0.50) KDM4ETDP1NAPRTSLC40A1HTT
SCHEMBL7367740 0.83 KDM4E (0.47) KDM4ETDP1SLC40A1HTTALDH1A1
SCHEMBL7361928 0.81 KDM4E (0.55) KDM4ETDP1NAPRTHTTALDH1A1
SCHEMBL9378111 0.80 KDM4E (0.48) KDM4ETDP1NAPRTKCNA5ALDH1A1
SCHEMBL7366150 0.78 KDM4E (0.49) KDM4ETDP1HTTALDH1A1SMN1; SMN2
SCHEMBL15655701 0.76 MEN1 (0.50) KDM4ETDP1CYP11B1CYP11B2KCNA5
SCHEMBL12939848 0.70 PKM (0.46) CYP11B1CYP11B2ALDH1A1KCNH2SMN1; SMN2
SCHEMBL7365920 0.69 KDM4E (0.57) KDM4ETDP1NAPRTALDH1A1GAA
SCHEMBL7454925 0.69 MEN1 (0.64) KDM4ETDP1HTTALDH1A1SMN1; 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