SCHEMBL6821161

SCHEMBL6821161

[CH2]COc1c(C)n(C(=O)c2ccccc2Br)c2c(Br)cc(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
NOD1 Q9Y239 1/20 0.34
F2R P25116 1/20 0.33
MGLL Q99685 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NPC1 O15118 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL6821026 0.79 KDM4E (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL6820274 0.76 HTR7 (0.39) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL6821067 0.76 NPSR1 (0.33) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6820281 0.74 KDM4E (0.38) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6821012 0.74 KDM4E (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6820214 0.71 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6821088 0.70 NPSR1 (0.35) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL6820288 0.69 HTR7 (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL6820277 0.68 KDM4E (0.38) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14953563 0.68 KDM4E (0.42) ALDH1A1LMNAMEN1KMT2AMAPT

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