SCHEMBL5707933

SCHEMBL5707933

C[n+]1ccn(CCN2CCN(c3ccc(N)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
KDM4E B2RXH2 5/20 0.53
GFER P55789 4/20 0.53
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAD52 P43351 2/20 0.53
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
ADRA2C P18825 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR7 P34969 2/20 0.40
CASP6 P55212 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39

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
Hydrochloric Acid SCHEMBL5707970 0.99 MAPT (0.51) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707917 0.95 MAPT (0.48) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707945 0.94 MAPT (0.47) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6151485 0.92 MAPT (0.50) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6413349 0.91 MAPT (0.49) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5707930 0.83 GAA (0.58) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5707956 0.82 GAA (0.56) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5829351 0.79 ADRA2C (0.49) MAPTKDM4EGAASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL5707958 0.79 GAA (0.52) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6151900 0.76 GFER (0.52) MAPTKDM4EGFERGAASMN1; SMN2

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
EP-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP claimed
EP-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP disclosed