SCHEMBL7448353

SCHEMBL7448353

N=C(N)NCC(CNC(=N)N)(CNC(=N)N)CNC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL74042 0.77
SCHEMBL5393690 0.77
SCHEMBL9957766 0.75
SCHEMBL15256432 0.71 NOS1 (0.33)
SCHEMBL17030129 0.71 NOS1 (0.33)
SCHEMBL5950548 0.69
SCHEMBL3079040 0.69 CYP1A2 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL23327585 0.69
SCHEMBL17030070 0.69 NOS1 (0.32)
SCHEMBL12629147 0.69 NOS1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063819-A PROTECTING NEURONS FROM DAMAGE BY ADMINISTERING TO HUMANS POLYGUADINO COMPOUNDS CYPROS PHARMACEUTICAL CORP. (US) 2000-05-16 US disclosed
WO-1998036743-A1 NEUROPROTECTIVE POLY-GUANIDINO COMPOUNDS WHICH BLOCK PRESYNAPTIC N AND P/Q CALCIUM CHANNELS CYPROS PHARMACEUTICAL CORPORATION (US) 1998-08-27 WO disclosed