SCHEMBL7367740

SCHEMBL7367740

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC40A1 Q9NP59 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
SCHEMBL7367688 0.87 KDM4E (0.54) KDM4ETDP1HTTALOX15L3MBTL1
SCHEMBL7369692 0.84 KDM4E (0.50) KDM4ETDP1HTTALOX15L3MBTL1
SCHEMBL7366979 0.83 KDM4E (0.47) KDM4ETDP1HTTALOX15L3MBTL1
SCHEMBL7366150 0.83 KDM4E (0.49) KDM4ETDP1HTTALDH1A1HPGD
SCHEMBL7361928 0.81 KDM4E (0.55) KDM4ETDP1HTTALOX15L3MBTL1
SCHEMBL9119782 0.77 TDP1 (0.48) KDM4ETDP1HTTALOX15L3MBTL1
SCHEMBL7362876 0.77 KDM4E (0.48) KDM4ETDP1HTTL3MBTL1ALDH1A1
SCHEMBL7362874 0.77 KDM4E (0.50) KDM4ETDP1HTTALOX15L3MBTL1
SCHEMBL7369401 0.75 KDM4E (0.46) KDM4ETDP1HTTL3MBTL1ALDH1A1
SCHEMBL8483426 0.73 KDM4E (0.47) KDM4ETDP1HTTALOX15L3MBTL1

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