SCHEMBL7657823

SCHEMBL7657823

O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALOX12 P18054 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL7657390 0.88 MAPT (0.56) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7656160 0.86 MEN1 (0.49) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7659438 0.85 GFER (0.61) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7651981 0.83 MAPT (0.72) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7665040 0.81 MAPT (0.56) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7664966 0.81 MAPT (0.61) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7658164 0.81 MAPT (0.53) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7858184 0.80 MAPT (0.54) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7665855 0.79 TP53 (0.54) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7654276 0.79 MAPT (0.58) MEN1KMT2AMAPTTP53KDM4E

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