SCHEMBL10936259

SCHEMBL10936259

Cc1nn(C)c(C)c1NCCCN

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NMT1 P30419 5/20 0.35
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL6495036 0.74 GAA (0.46) GAAKDM4EALDH1A1LMNAHTT
SCHEMBL10864189 0.69 RAB9A (0.43) GAAKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11665814 0.68 GAA (0.49) GAAKDM4EALDH1A1LMNAHTT
SCHEMBL10942236 0.68 ALDH1A1 (0.42) GAAKDM4EALDH1A1LMNAHTT
SCHEMBL10939649 0.67 ALDH1A1 (0.41) GAAKDM4EALDH1A1HTT
SCHEMBL10934120 0.67 SMN1; SMN2 (0.43) GAAKDM4EALDH1A1LMNAHTT
SCHEMBL11755254 0.66 KAT2B (0.46) ALDH1A1HTTHSD17B10
SCHEMBL10933806 0.65 HPGD (0.44) ALDH1A1TSHRTLR8
SCHEMBL10838540 0.65 SMN1; SMN2 (0.56) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6917528 0.65 GAA (0.48) GAAKDM4EALDH1A1LMNAHTT

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-4507488-A N-Pyrazolylalkylenediamine intermediates BOEHRINGER MANNHEIM GMBH (DE) 1985-03-26 US disclosed
EP-0042592-B1 N-HETEROARYLALKYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1985-01-30 EP disclosed