SCHEMBL7369692

SCHEMBL7369692

NC(=O)c1ccc(-c2ncccc2C(=O)O)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
NAPRT Q6XQN6 2/20 0.41
CAMKK2 Q96RR4 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.37
JAK2 O60674 1/20 0.37

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 0.91 KDM4E (0.54) KDM4ETDP1NAPRTCAMKK2ALDH1A1
SCHEMBL7366979 0.84 KDM4E (0.47) KDM4ETDP1NAPRTALDH1A1GAA
SCHEMBL7367740 0.84 KDM4E (0.47) KDM4ETDP1ALDH1A1MAPTALOX15
SCHEMBL7361928 0.82 KDM4E (0.55) KDM4ETDP1NAPRTALDH1A1GAA
SCHEMBL7366150 0.79 KDM4E (0.49) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL28375063 0.74 PKM (0.41) KDM4ETDP1CYP3A4MAPTTSHR
SCHEMBL3820615 0.73 KDM4E (0.65) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL14324876 0.72 KDM4E (0.81) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL7365920 0.71 KDM4E (0.57) KDM4ETDP1NAPRTALDH1A1GAA
SCHEMBL7365914 0.71 KDM4E (0.61) KDM4ETDP1NAPRTALDH1A1GAA

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