SCHEMBL9129159

SCHEMBL9129159

COc1cc(C(=O)NCCCN2CCCN(CCCN)CC2)cc(OC)c1OC

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.89
ATM Q13315 1/20 0.72
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
MAPK1 P28482 2/20 0.58
ABCC4 O15439 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
CHRM3 P20309 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 1/20 0.58
SCN1A P35498 1/20 0.58
THPO P40225 1/20 0.58
HTR2B P41595 1/20 0.58

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
SCHEMBL9199428 0.94 SLC29A1 (1.00) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL9129234 0.90 SLC29A1 (0.91) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL9196617 0.85 SLC29A1 (0.82) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL25129314 0.84 SLC29A1 (0.63) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL25128861 0.83 SLC29A1 (0.79) SLC29A1ATMSMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL11484451 0.82 SMN1; SMN2 (1.00) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL30063662 0.81 KMT2A (0.86) SLC29A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL9131584 0.80 SLC29A1 (0.73) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL25980156 0.80 SLC29A1 (0.72) SLC29A1ATMSMN1; SMN2MAPTMEN1
SCHEMBL6984898 0.79 SLC29A1 (0.69) SLC29A1ATMSMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541798-B1 NEW DIAMINE COMPOUND AND BRAIN PROTECTING AGENT CONTAINING THE SAME KOWA CO (JP) 1995-11-29 EP disclosed
US-5389630-A Diamine compound and brain protecting agent containing the same KOWA CO., LTD. (JP) 1995-02-14 US disclosed
EP-0541798-A1 NEW DIAMINE COMPOUND AND BRAIN PROTECTING AGENT CONTAINING THE SAME Kowa Company Ltd. (JP) 1993-05-19 EP disclosed