SCHEMBL20181158

SCHEMBL20181158

Nc1nc(CN2CCNCC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
NCF1 P14598 3/20 0.48
DCPS Q96C86 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CXCR4 P61073 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTR3A P46098 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.43
HIF1A Q16665 4/20 0.42
ADRB1 P08588 2/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL12817357 0.81 HRH4 (0.42) ALDH1A1HPGDCXCR4KDM4EGAA
SCHEMBL14820265 0.78 PTPN1 (0.38) SIGMAR1ALDH1A1HPGDCXCR4KDM4E
SCHEMBL17434077 0.77 NCF1 (0.62) SIGMAR1NCF1HIF1AADRB1ADRB2
SCHEMBL15858077 0.77 ADORA2A (0.47) SIGMAR1NCF1ALDH1A1CXCR4KDM4E
SCHEMBL18484400 0.76 HRH4 (0.38) SIGMAR1ALDH1A1HPGDCXCR4KDM4E
SCHEMBL30575992 0.75 ALDH1A1 (0.70) NCF1ALDH1A1HPGDKDM4EGLA
SCHEMBL11817813 0.75 ALDH1A1 (0.70) NCF1ALDH1A1HPGDKDM4EGLA
SCHEMBL20181157 0.74 KCNH2 (0.50) ALDH1A1KDM4EGAAALOX15HIF1A
SCHEMBL4665313 0.74 SIGMAR1 (0.47) SIGMAR1ALDH1A1CXCR4KDM4EHSD17B10
Hydrochloric Acid SCHEMBL30576212 0.74 ALDH1A1 (0.73) NCF1ALDH1A1HPGDKDM4EGLA

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-2018092725-A1 p53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION 学校法人東京理科大学 2018-05-24 WO disclosed