SCHEMBL9850580

SCHEMBL9850580

c1ccc2c(NCCNCCNc3cnccn3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CA12 O43570 2/20 0.48
CA4 P22748 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 2/20 0.46

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
Hydrochloric Acid SCHEMBL9850431 0.85 BCHE (0.54) BCHEALDH1A1KDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL9850536 0.79 ALDH1A1 (0.70) BCHEALDH1A1KDM4ETSHRHSD17B10
SCHEMBL27420834 0.78 SMN1; SMN2 (0.55) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL9850360 0.77 BCHE (0.49) BCHEALDH1A1KDM4ETSHRHSD17B10
SCHEMBL9850459 0.76 CA12 (0.51) BCHEALDH1A1KDM4ETSHRHSD17B10
SCHEMBL9850407 0.76 HTR1A (0.73) BCHEALDH1A1KDM4ETSHRHSD17B10
SCHEMBL9850446 0.76 BCHE (0.48) BCHEALDH1A1KDM4ETSHRHSD17B10
SCHEMBL9850702 0.76 MEN1 (0.47) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL11283741 0.75 CA12 (0.77) BCHEALDH1A1KDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL9850592 0.74 BCHE (0.52) BCHEALDH1A1KDM4ETSHRHSD17B10

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
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed