SCHEMBL14397294

SCHEMBL14397294

Bc1cccc2ccn(CC(=O)NCCN(C)C3CCCCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL3591244 0.89 TSHR (0.42) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3585618 0.88 MAPT (0.40) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3586421 0.88 TSHR (0.41) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3598033 0.86 HTT (0.44) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3597285 0.85 MAPT (0.46) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3598118 0.85 ALDH1A1 (0.38) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3594706 0.84 GAA (0.42) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3605624 0.84 GAA (0.41) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3595020 0.83 HSD17B10 (0.52) MAPTTP53TSHRHSD17B10ALDH1A1
SCHEMBL3589650 0.83 TSHR (0.41) MAPTTP53TSHRHSD17B10ALDH1A1

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-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed