SCHEMBL6151900

SCHEMBL6151900

C[n+]1ccn(CC(=O)N2CCN(c3ccc(N)cc3)CCN(c3ccc(N)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.52
CASP6 P55212 1/20 0.52
MAPT P10636 7/20 0.44
ALDH1A1 P00352 7/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 5/20 0.41
ALOX12 P18054 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 2/20 0.41
ADRA2C P18825 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ME2 P23368 2/20 0.40

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
SCHEMBL5707942 1.00 GFER (0.52) GFERCASP6MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL5707947 0.99 GFER (0.51) GFERCASP6MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6417931 0.99 GFER (0.51) GFERCASP6MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL5707949 0.94 GFER (0.47) GFERCASP6MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL5828842 0.93 GFER (0.46) GFERCASP6MAPTALDH1A1HTT
SCHEMBL5707960 0.85 GAA (0.47) GFERMAPTALDH1A1HTTLMNA
SCHEMBL6152146 0.85 GAA (0.47) GFERMAPTALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL5707967 0.84 GAA (0.46) GFERMAPTALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL6415215 0.84 GAA (0.46) GFERMAPTALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL5707927 0.81 GAA (0.43) GFERMAPTALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518860-A1 Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres L'OREAL (FR) 2005-03-30 EP claimed