SCHEMBL3228726

SCHEMBL3228726

Clc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.57
HRH1 P35367 2/20 0.57
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
APP P05067 1/20 0.50
PTGDR Q13258 3/20 0.47
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ACP1 P24666 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL3450708 0.85 ALDH1A1 (0.58) HRH4HRH1MEN1ALDH1A1HPGD
SCHEMBL13309932 0.85 HRH4 (0.60) HRH4HRH1ALDH1A1L3MBTL1PTGDR
SCHEMBL8492272 0.83 APP (0.54) HRH4HRH1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17407827 0.82 HRH4 (0.80) HRH4HRH1ALDH1A1SMN1; SMN2APP
SCHEMBL3233802 0.81 TLR8 (0.71) HRH4MEN1ALDH1A1HPGDKMT2A
SCHEMBL13329969 0.79 HRH4 (0.57) HRH4HRH1MEN1KMT2APTGDR
SCHEMBL5170786 0.78 HRH4 (0.49) HRH4HRH1MEN1ALDH1A1KMT2A
SCHEMBL3457749 0.77 KMT2A (0.54) HRH4MEN1ALDH1A1HPGDKMT2A
SCHEMBL3473227 0.74 MEN1 (0.66) HRH4MEN1ALDH1A1HPGDKMT2A
SCHEMBL416616 0.74 MEN1 (0.66) HRH4MEN1ALDH1A1HPGDKMT2A

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-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed