SCHEMBL6929005

SCHEMBL6929005

NCCCCC1(N)CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SIGMAR1 Q99720 7/20 0.39
EBP Q15125 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.38
AKR1B1 P15121 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL10644129 0.86 SIGMAR1 (0.51) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL30192046 0.85 SIGMAR1 (0.53) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL9583389 0.82 KDM1A (0.53) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL390762 0.80 ALDH1A1 (0.42) KDM1AMEN1KMT2ASIGMAR1TP53
SCHEMBL17603661 0.78 KDM1A (0.44) KDM1AMEN1KMT2ASIGMAR1TP53
SCHEMBL4019674 0.77 KDM1A (0.56) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL30460648 0.77 KDM1A (0.56) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL6923877 0.76 SIGMAR1 (0.49) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL9584099 0.76 KDM1A (0.47) KDM1AMEN1KMT2ASIGMAR1TP53
SCHEMBL30411876 0.75 SIGMAR1 (0.51) KDM1AMEN1KMT2ASIGMAR1EBP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP claimed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP claimed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO claimed
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP disclosed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP disclosed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO disclosed