SCHEMBL6820274

SCHEMBL6820274

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MITF O75030 1/20 0.34
NOD1 Q9Y239 1/20 0.34
RAD52 P43351 1/20 0.34
KAT2B Q92831 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
SCHEMBL6817336 0.89 ALDH1A1 (0.41) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6821104 0.87 ALDH1A1 (0.39) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6821026 0.86 KDM4E (0.41) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6823561 0.86 MEN1 (0.42) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL3562851 0.84 KDM4E (0.43) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6821066 0.83 HTR7 (0.42) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6820214 0.81 MEN1 (0.41) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6820281 0.80 KDM4E (0.38) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6821012 0.80 KDM4E (0.41) HTR7KDM4EALDH1A1MEN1KMT2A
SCHEMBL6823922 0.79 CNR1 (0.47) MEN1KMT2ALMNACYP1A2CYP2D6

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