SCHEMBL28012829

SCHEMBL28012829

CC(=NNC(=O)c1ccc(F)cc1)c1ccccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.81
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CYP2C9 P11712 1/20 0.59
AGTR1 P30556 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
GSTA1 P08263 1/20 0.57
MTOR P42345 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA9 Q16790 1/20 0.57
HTT P42858 3/20 0.56
ALPL P05186 1/20 0.56

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
SCHEMBL685157 1.00 KDM1A (0.81) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL23719208 0.90 KDM1A (1.00) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL19283326 0.90 KDM1A (1.00) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL14712657 0.90 KDM1A (1.00) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL684658 0.89 KDM1A (0.83) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL684476 0.88 KDM1A (0.81) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL685110 0.87 KDM1A (0.75) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL684817 0.87 KDM1A (0.79) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL684487 0.87 KDM1A (0.79) KDM1ANPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL684473 0.86 MTOR (0.77) KDM1ANPC1SMN1; SMN2RAB9AKDM4E

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
CN-104447824-A Fluoro-boron diisoindole compounds and preparation method thereof UNIV EAST CHINA SCIENCE & TECH 2015-03-25 CN disclosed