SCHEMBL7658645

SCHEMBL7658645

CN1CCN(c2ccc(S(=O)(=O)Nc3ccc4oc(-c5ccc(O)c(O)c5)c(O)c(=O)c4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 1/20 0.54
CDK2 P24941 3/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
GFER P55789 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL7651986 0.92 MEN1 (0.51) LMNASMN1; SMN2PKMCDK2MEN1
SCHEMBL7658419 0.90 LMNA (0.51) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7652194 0.89 CDK2 (0.53) LMNASMN1; SMN2PKMCDK2MEN1
SCHEMBL7664122 0.83 PTPN1 (0.51) LMNASMN1; SMN2PKMCDK2MEN1
SCHEMBL7662595 0.81 MAPT (0.49) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7658431 0.80 LMNA (0.53) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7660305 0.78 MEN1 (0.53) LMNASMN1; SMN2PKMCDK2MEN1
SCHEMBL7658366 0.76 MEN1 (0.50) LMNASMN1; SMN2PKMCDK2MEN1
SCHEMBL7661882 0.76 MEN1 (0.52) LMNASMN1; SMN2PKMCDK2MEN1
SCHEMBL7663357 0.76 KDM4E (0.52) LMNASMN1; SMN2PKMCDK2MEN1

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