SCHEMBL6824409

SCHEMBL6824409

CN(C)CCOc1c(-c2ccccc2)n(C(=O)c2ccccc2Br)c2ccc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCB1 P08183 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MAT2A P31153 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6820214 0.89 MEN1 (0.41) KDM4EALDH1A1SMN1; SMN2PTGS2MEN1
SCHEMBL6921230 0.88 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6817324 0.88 HTR6 (0.43) KDM4EALDH1A1MEN1KMT2AHTR7
SCHEMBL6919614 0.88 PTGS2 (0.46) KDM4EALDH1A1SMN1; SMN2PTGS2MEN1
SCHEMBL6820281 0.87 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6820277 0.86 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3555919 0.85 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6821104 0.81 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6821037 0.80 ABCB1 (0.43) KDM4EALDH1A1SMN1; SMN2PTGS2MEN1
SCHEMBL6820229 0.80 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2PTGS2MEN1

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