SCHEMBL6821026

SCHEMBL6821026

Cc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1C(=O)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 6/20 0.39
HTR7 P34969 1/20 0.38
UTS2R Q9UKP6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34

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 0.89 KDM4E (0.38) KDM4ETDP1ALDH1A1HTR7UTS2R
SCHEMBL6820274 0.86 HTR7 (0.39) KDM4ETDP1ALDH1A1HTR7MEN1
SCHEMBL6820272 0.86 KDM4E (0.46) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6820214 0.85 MEN1 (0.41) KDM4ETDP1ALDH1A1HTR7SMN1; SMN2
SCHEMBL6821012 0.82 KDM4E (0.41) KDM4ETDP1ALDH1A1HTR7SMN1; SMN2
SCHEMBL6820281 0.82 KDM4E (0.38) KDM4ETDP1ALDH1A1HTR7SMN1; SMN2
SCHEMBL6821066 0.81 HTR7 (0.42) KDM4EALDH1A1HTR7MEN1KMT2A
SCHEMBL3560979 0.81 KDM4E (0.48) KDM4ETDP1ALDH1A1MAPT
SCHEMBL6823917 0.80 HTR7 (0.43) KDM4ETDP1ALDH1A1HTR7UTS2R
SCHEMBL6823561 0.80 MEN1 (0.42) KDM4ETDP1ALDH1A1HTR7MEN1

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 claimed