SCHEMBL9850683

SCHEMBL9850683

c1ccc2c(NCCNCCNc3ccc4cn[nH]c4c3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.44
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL9850424 0.84 HTR1A (0.54) MAPTKDM4EINSRIGF1RRAB9A
SCHEMBL9850444 0.83 INSR (0.41) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9850498 0.82 BCHE (0.49) MAPTKDM4EALDH1A1SMN1; SMN2BCHE
SCHEMBL9850544 0.81 CA12 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9850536 0.74 ALDH1A1 (0.70) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9850546 0.73 ALDH1A1 (0.60) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL7572085 0.72 RECQL (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10936657 0.72 INSR (0.55) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL7571372 0.72 INSR (0.58) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9850339 0.72 FADS1 (0.60) MAPTKDM4EALDH1A1SMN1; SMN2MEN1

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