SCHEMBL7658431

SCHEMBL7658431

CN1CCN(c2ccc(S(=O)(=O)Nc3ccc4oc(C5=COC(Cc6ccccc6)O5)c(O)c(=O)c4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 7/20 0.44
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MYD88 Q99836 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HTR6 P50406 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 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
SCHEMBL7662599 0.93 KMT2A (0.45) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7660123 0.85 HSPD1 (0.47) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7654281 0.82 HIF1A (0.45) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7659448 0.81 TP53 (0.37) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7665046 0.81 HIF1A (0.42) SMN1; SMN2PKMMEN1KMT2AALDH1A1
SCHEMBL7657396 0.81 PTPN2 (0.41) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7858188 0.80 TDP1 (0.45) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7658645 0.80 LMNA (0.54) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL7656711 0.80 HIF1A (0.44) SMN1; SMN2PKMMEN1KMT2AALDH1A1
SCHEMBL7855840 0.79 PNMT (0.42) SMN1; SMN2MEN1KMT2AMAPTTDP1

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