SCHEMBL6820281

SCHEMBL6820281

CN(C)CCOc1c(-c2ccccc2)n(C(=O)c2ccccc2Br)c2c(Br)cc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR3 P29371 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL6820277 0.94 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6817321 0.91 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6821104 0.91 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL14953594 0.89 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6824409 0.87 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6921230 0.82 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6821026 0.82 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6820710 0.81 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL6820673 0.81 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL6820274 0.80 HTR7 (0.39) KDM4EALDH1A1HTR7LMNATDP1

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
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed