SCHEMBL10079263

SCHEMBL10079263

NCc1cc(Cl)cc(CN2CCC(N)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
PRMT6 Q96LA8 1/20 0.42
CCR5 P51681 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NCF1 P14598 1/20 0.40
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CXCR3 P49682 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37

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
SCHEMBL6943921 0.90 L3MBTL1 (0.58) L3MBTL1CCR5ALDH1A1KDM4EGLA
SCHEMBL10079673 0.86 CXCR4 (0.51) L3MBTL1PRMT6CCR5ALDH1A1KDM4E
SCHEMBL31540796 0.84 L3MBTL1 (0.47) L3MBTL1CCR5ALDH1A1KDM4EGLA
SCHEMBL16795119 0.83 L3MBTL1 (0.46) L3MBTL1CCR5ALDH1A1KDM4EGLA
SCHEMBL1021686 0.78 ALDH1A1 (0.60) CCR5ALDH1A1KDM4ELTA4HSIGMAR1
SCHEMBL2855576 0.77 SIGMAR1 (0.68) L3MBTL1ALDH1A1KDM4EGLAGAA
Hydrochloric Acid SCHEMBL11538526 0.76 SIGMAR1 (0.66) L3MBTL1ALDH1A1KDM4EGLAGAA
Hydrochloric Acid SCHEMBL11533737 0.76 MEN1 (0.58) CCR5ALDH1A1KDM4ELTA4HSIGMAR1
Hydrochloric Acid SCHEMBL2673496 0.76 MEN1 (0.58) CCR5ALDH1A1KDM4ELTA4HSIGMAR1
SCHEMBL10079679 0.75 CYP2D6 (0.42) L3MBTL1PRMT6ALDH1A1KDM4EGAA

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-2012020220-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed