SCHEMBL7367688

SCHEMBL7367688

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NAPRT Q6XQN6 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CAMKK2 Q96RR4 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7369692 0.91 KDM4E (0.50) KDM4ETDP1ALDH1A1GAATSHR
SCHEMBL7367740 0.87 KDM4E (0.47) KDM4ETDP1ALDH1A1POLBMAPT
SCHEMBL7366979 0.87 KDM4E (0.47) KDM4ETDP1ALDH1A1GAATSHR
SCHEMBL7361928 0.85 KDM4E (0.55) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL7366150 0.82 KDM4E (0.49) KDM4ETDP1ALDH1A1POLBMAPT
SCHEMBL7365920 0.74 KDM4E (0.57) KDM4ETDP1ALDH1A1GAATSHR
SCHEMBL3588665 0.74 TTR (0.50) KDM4EALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL7365914 0.74 KDM4E (0.61) KDM4ETDP1ALDH1A1GAATSHR
SCHEMBL1408523 0.73 KDM4E (0.50) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL270419 0.73 KDM4E (1.00) KDM4ETDP1ALDH1A1GAATSHR

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