SCHEMBL7659815

SCHEMBL7659815

O=C(N1CCc2ccc(S(=O)(=O)Nc3ccc4oc(-c5ccc6c(c5)OCO6)c(O)c(=O)c4c3)cc2C1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.48
HTT P42858 8/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
USP2 O75604 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39

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
SCHEMBL7657720 0.90 PKM (0.41) PKMHTTMAPTMEN1KMT2A
SCHEMBL7855836 0.81 MAPT (0.48) PKMHTTMAPTMEN1KMT2A
SCHEMBL7658164 0.80 MAPT (0.53) PKMHTTMAPTMEN1KMT2A
SCHEMBL7659438 0.79 GFER (0.61) PKMHTTMAPTMEN1KMT2A
SCHEMBL7657390 0.79 MAPT (0.56) PKMHTTMAPTMEN1KMT2A
SCHEMBL7858184 0.78 MAPT (0.54) PKMHTTMAPTMEN1KMT2A
SCHEMBL7665040 0.78 MAPT (0.56) PKMHTTMAPTMEN1KMT2A
SCHEMBL7664966 0.78 MAPT (0.61) PKMHTTMAPTMEN1KMT2A
SCHEMBL7659818 0.77 PKM (0.36) PKMHTTMAPTMEN1KMT2A
SCHEMBL7654276 0.77 MAPT (0.58) PKMHTTMAPTMEN1KMT2A

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-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
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed