SCHEMBL7658419

SCHEMBL7658419

CN1CCN(c2ccc(S(=O)(=O)Nc3ccc4oc(-c5ccc6c(c5)OCO6)c(O)c(=O)c4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
PKM P14618 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
MAPT P10636 8/20 0.45
HTT P42858 3/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALOX12 P18054 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ALDH1A1 P00352 7/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7662595 0.92 MAPT (0.49) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7658645 0.90 LMNA (0.54) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7660118 0.85 HSP90AA1 (0.53) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7651986 0.81 MEN1 (0.51) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7652194 0.79 CDK2 (0.53) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7659438 0.79 GFER (0.61) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7664966 0.79 MAPT (0.61) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7657390 0.79 MAPT (0.56) LMNAPKMMEN1KMT2AMAPT
SCHEMBL7665040 0.79 MAPT (0.56) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7654276 0.78 MAPT (0.58) LMNAPKMSMN1; SMN2MEN1KMT2A

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