SCHEMBL9850433

SCHEMBL9850433

Cc1cc(NCCNCCNc2cccc3ccccc23)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
BCHE P06276 1/20 0.46
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RECQL P46063 1/20 0.44

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 SCHEMBL9850620 0.79 BCHE (0.51) KDM4EALDH1A1SMN1; SMN2HPGDBCHE
SCHEMBL9850321 0.79 MAPT (0.63) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
Hydrochloric Acid SCHEMBL9850536 0.77 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL1187744 0.76 KDM4E (0.80) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9850541 0.76 BCHE (0.48) KDM4EALDH1A1HPGDBCHECA12
SCHEMBL24249663 0.74 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
Hydrochloric Acid SCHEMBL9850431 0.74 BCHE (0.54) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8694650 0.74 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9850407 0.74 HTR1A (0.73) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL11283741 0.73 CA12 (0.77) KDM4EALDH1A1SMN1; SMN2HPGDMEN1

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