SCHEMBL2494009

SCHEMBL2494009

CCCOc1ccc(F)c2c1[N]C(CC)=C(c1ccc(OCCOC3CCCCO3)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
P2RX3 P56373 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHEK1 O14757 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL3397718 0.81 PTGS2 (0.35) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL3363212 0.73 MEN1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2581522 0.70 MEN1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL13560371 0.69 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12160562 0.67 MEN1 (0.38) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL822693 0.66 MEN1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13907677 0.65 KMT2A (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5537251 0.65 MEN1 (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL171304 0.65 MEN1 (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12510434 0.64 MEN1 (0.49) MEN1KMT2ANPC1RAB9AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed