SCHEMBL7366419

SCHEMBL7366419

CN(C)C(=O)c1ccc(C(=O)c2ncccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 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
NAPRT Q6XQN6 2/20 0.46
DHODH Q02127 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.41
AKR1C3 P42330 2/20 0.41
MYC P01106 1/20 0.40
HPGD P15428 1/20 0.40
CSNK2A1 P68400 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
SCHEMBL7361369 0.88 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL11234141 0.85 CNR2 (0.57) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL7369036 0.85 TDP1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTALOX15
SCHEMBL7369102 0.84 KDM4E (0.67) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL7362610 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL7347947 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL9172028 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL7842762 0.80 KDM4E (0.61) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL7365695 0.80 KDM4E (0.61) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL7362858 0.79 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT

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