SCHEMBL7369401

SCHEMBL7369401

COC(=O)c1c(C)ccc(-c2ncccc2C(=O)O)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP2 O95551 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
CLCN2 P51788 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7364363 0.89 KDM4E (0.51) KDM4ETDP1L3MBTL1LMNANPC1
SCHEMBL7362874 0.83 KDM4E (0.50) KDM4ETDP1PKML3MBTL1NPC1
SCHEMBL7366019 0.77 KDM4E (0.46) KDM4ETDP1L3MBTL1LMNANPC1
SCHEMBL7365354 0.76 TDP1 (0.50) KDM4ETDP1PKML3MBTL1NPC1
SCHEMBL7365914 0.76 KDM4E (0.61) KDM4ETDP1L3MBTL1TDP2LMNA
SCHEMBL7367740 0.75 KDM4E (0.47) KDM4ETDP1PKML3MBTL1NPC1
SCHEMBL7363319 0.71 KDM4E (0.54) KDM4ETDP1L3MBTL1LMNAMEN1
SCHEMBL7365254 0.71 KDM4E (0.54) KDM4ETDP1PKML3MBTL1LMNA
SCHEMBL7361928 0.70 KDM4E (0.55) KDM4ETDP1L3MBTL1LMNAMEN1
SCHEMBL7366150 0.70 KDM4E (0.49) KDM4ETDP1PKMLMNANPC1

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