SCHEMBL6915948

SCHEMBL6915948

Oc1c(-c2ccccc2)n(Cc2ccccc2Br)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
RCE1 Q9Y256 1/20 0.43
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.39
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL6820925 0.81 BCL2 (0.40) KDM4ERCE1ALDH1A1MEN1KMT2A
SCHEMBL6820233 0.80 CYP19A1 (0.59) KDM4ERCE1ALDH1A1MEN1KMT2A
SCHEMBL29093697 0.78 CYP19A1 (0.53) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL30616072 0.78 CYP19A1 (0.53) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL29244218 0.74 TSPO (0.48) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL31022839 0.74 TSPO (0.48) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL24642212 0.74 L3MBTL1 (0.41) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL15823716 0.72 TSPO (0.42) FEN1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL23131640 0.71 ABCB1 (0.39) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL8245792 0.71 EGLN1 (0.76) KDM4EMEN1KMT2ATSHRHTT

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