SCHEMBL4813795

SCHEMBL4813795

NCCc1n[nH]c(CCN)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HRH2 P25021 1/20 0.31
CACNA1H O95180 1/20 0.31
RAD52 P43351 1/20 0.31
UBE2N P61088 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL17950129 0.76
SCHEMBL758183 0.76
SCHEMBL15757428 0.74
Hydrochloric Acid SCHEMBL15757275 0.73 MAPT (0.42) HRH2
Hydrochloric Acid SCHEMBL3129757 0.73 MAPT (0.42) HRH2
Hydrochloric Acid SCHEMBL4808597 0.73 HRH4 (0.35) ALDH1A1HRH2
SCHEMBL2754314 0.67 MAPT (0.47) ALDH1A1
SCHEMBL2228226 0.66 NR1H2 (0.62) LMNA
SCHEMBL11180530 0.66 MAPT (0.50) ALDH1A1
SCHEMBL15757081 0.65 ROCK2 (0.43) ALDH1A1LMNA

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-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed