SCHEMBL6820673

SCHEMBL6820673

CN(C)CCOc1c(-c2ccccc2)n(C(=O)c2ccccc2)c2c(Br)cc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
TACR3 P29371 2/20 0.37
KCNH2 Q12809 1/20 0.37
HTR7 P34969 2/20 0.36
ESR1 P03372 2/20 0.35
MCHR1 Q99705 1/20 0.35
AGTR1 P30556 1/20 0.35
PIM1 P11309 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
SCHEMBL3562785 0.91 ALDH1A1 (0.42) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL6817321 0.90 KDM4E (0.39) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL6821104 0.90 ALDH1A1 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL6817336 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL6820229 0.85 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL6820710 0.82 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL6820281 0.81 KDM4E (0.38) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL14953594 0.81 KDM4E (0.41) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL6821012 0.79 KDM4E (0.41) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL3559969 0.78 HTR6 (0.37) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A

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 2 patents. 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
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed