SCHEMBL6920637

SCHEMBL6920637

CC[N+](C)(C)Oc1c(C)n(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.49
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 1/20 0.40
PLA2G1B P04054 1/20 0.39
TSPO P30536 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
SCHEMBL6922120 0.87 MAPT (0.42) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL7129936 0.86 PLA2G2A (0.41) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL6920639 0.77 PLA2G2A (0.47) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL3854526 0.77 PLA2G2A (0.59) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL6821006 0.76 TDP1 (0.52) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL6917789 0.75 MEN1 (0.35) PLA2G2AKMT2ATSHRMAPK1MAPT
SCHEMBL6821095 0.75 PLA2G2A (0.60) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL3855495 0.74 PLA2G2A (0.65) PLA2G2AKMT2ALMNATSHRMAPK1
SCHEMBL2244878 0.73 CYP19A1 (0.60) PLA2G2AKMT2ALMNAMAPK1MAPT
SCHEMBL31222301 0.73 CYP19A1 (0.60) PLA2G2AKMT2ALMNAMAPK1MAPT

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