SCHEMBL28320523

SCHEMBL28320523

c1ccc(-c2nc(-c3cn[nH]n3)cc(N3CCCCC3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
MAPT P10636 5/20 0.51
TSHR P16473 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP2 O75604 1/20 0.51
IDO1 P14902 1/20 0.50
METAP2 P50579 1/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL28321646 0.99 HPGD (0.66) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL13309949 0.82 HPGD (1.00) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL28321647 0.77 HPGD (0.68) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL28876756 0.76 HPGD (0.67) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL16402980 0.76 HPGD (0.62) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL28320586 0.75 HPGD (0.66) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL26070211 0.75 LMNA (0.78) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL28321640 0.74 HPGD (0.64) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL16403170 0.74 HPGD (0.60) HPGDMAPTTSHRHSD17B10HTT
SCHEMBL13111332 0.74 HPGD (0.72) HPGDMAPTTSHRHSD17B10HTT

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN claimed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed