SCHEMBL7657981

SCHEMBL7657981

Cc1cc2oc(-c3ccc4c(c3)OCO4)c(O)c(=O)c2cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
KDM4E B2RXH2 7/20 0.64
TP53 P04637 6/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
CASP1 P29466 5/20 0.64
CASP7 P55210 5/20 0.64
ALOX12 P18054 3/20 0.64
HTT P42858 2/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
CYP3A4 P08684 6/20 0.63
CYP2C9 P11712 4/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP1A2 P05177 1/20 0.63
CSNK2A2 P19784 4/20 0.48
CSNK2B P67870 4/20 0.48
CSNK2A1 P68400 4/20 0.48
ACHE P22303 2/20 0.43

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
SCHEMBL7660020 0.91 MAPT (0.70) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL7666088 0.82 MAPT (0.72) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL7656073 0.82 MAPT (0.72) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL7656375 0.82 MEN1 (0.62) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL19721025 0.78 MEN1 (1.00) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL30667460 0.78 MEN1 (1.00) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL925722 0.78 MAPT (0.72) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL7651981 0.78 MAPT (0.72) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL7655740 0.78 KDM4E (0.72) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL7660093 0.77 CYP3A4 (0.83) MAPTKDM4ETP53MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US disclosed