SCHEMBL7361369

SCHEMBL7361369

CN(C)C(=O)c1ccc(C(=O)c2cccnc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
ALOX15 P16050 2/20 0.56
MAPT P10636 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
AGER Q15109 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NAPRT Q6XQN6 2/20 0.42
DHODH Q02127 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 3/20 0.41
AKR1C3 P42330 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MYC P01106 1/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL7366419 0.88 ALDH1A1 (0.56) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL11243785 0.85 MAPT (0.56) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL7365837 0.85 L3MBTL1 (0.47) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL7367595 0.84 KDM4E (0.67) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL6987666 0.83 ALDH1A1 (0.61) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL296670 0.82 KDM4E (0.69) KDM4EALDH1A1ALOX15MAPTCYP3A4
Hydrochloric Acid SCHEMBL7853761 0.81 KDM4E (0.67) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL7529815 0.80 KDM4E (0.61) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL7364079 0.80 KDM4E (0.61) KDM4EALDH1A1ALOX15MAPTCYP3A4
SCHEMBL2212405 0.80 KDM4E (0.61) KDM4EALDH1A1ALOX15MAPTCYP3A4

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