SCHEMBL9728352

SCHEMBL9728352

N#CCCN1C=NCN(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
KCNA3 P22001 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 1/20 0.32
GAA P10253 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL9728456 0.70 TDP1 (0.35) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL9728503 0.70 ADRA2A (0.52) MAPTTSHRALDH1A1LMNA
SCHEMBL574986 0.69 NPSR1 (0.38) SMN1; SMN2MAPTKDM4ETSHRALDH1A1
SCHEMBL9728419 0.69 L3MBTL1 (0.43) SMN1; SMN2MAPTKDM4ETSHRALDH1A1
SCHEMBL11577567 0.68 KCNH2 (0.62) MAPTKDM4EALDH1A1POLBKCNA3
SCHEMBL28844443 0.63 SIGMAR1 (0.37) SMN1; SMN2TSHRALDH1A1KCNA3LMNA
SCHEMBL1307855 0.60 CHRNA7 (0.58) MAPTKDM4EALDH1A1POLBKCNA3
SCHEMBL9728348 0.59 SMN1; SMN2 (0.37) SMN1; SMN2MAPTKDM4ETSHRCYP1A2
SCHEMBL474882 0.58 SIGMAR1 (0.52) SMN1; SMN2MAPTTSHRALDH1A1POLB
SCHEMBL11713164 0.57 NPSR1 (0.49) SMN1; SMN2MAPTKDM4ETSHRCYP1A2

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
US-5098926-A Antitumor agents UNIVERSITY PATENTS, INC. (US) 1992-03-24 US disclosed
US-4888341-A 6-substituted mitomycin analogs UNIVERSITY PATENTS, INC. (US) 1989-12-19 US disclosed