SCHEMBL7513264

SCHEMBL7513264

Nc1ccc(N)c(N2CCN(c3cc(N)ccc3N)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
GAA P10253 5/20 0.55
HTT P42858 4/20 0.55
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 3/20 0.55
PTK2B Q14289 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
S100B P04271 1/20 0.53
PKM P14618 1/20 0.53
LGMN Q99538 3/20 0.52
RAD52 P43351 2/20 0.48
POLB P06746 2/20 0.48
THRB P10828 2/20 0.47

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
SCHEMBL28147210 0.89 GAA (0.69) MAPTGAAHTTMAPK1KDM4E
Sulfuric Acid SCHEMBL7510988 0.88 ALDH1A1 (0.52) MAPTGAAHTTMAPK1KDM4E
SCHEMBL7805793 0.86 GAA (0.46) MAPTGAAHTTMAPK1KDM4E
SCHEMBL14280213 0.86 LGMN (0.71) MAPTGAAHTTMAPK1KDM4E
SCHEMBL15041150 0.82 MAPT (0.45) MAPTGAAHTTMAPK1KDM4E
Sulfuric Acid SCHEMBL7807267 0.81 ALDH1A1 (0.54) MAPTGAAHTTMAPK1KDM4E
SCHEMBL7514624 0.81 ALDH1A1 (0.53) MAPTGAAHTTMAPK1KDM4E
Sulfuric Acid SCHEMBL7808232 0.80 ALDH1A1 (0.57) MAPTGAAHTTMAPK1KDM4E
Sulfuric Acid SCHEMBL7809582 0.80 ALDH1A1 (0.57) MAPTGAAHTTMAPK1KDM4E
Hydrochloric Acid SCHEMBL16755395 0.80 MAPT (0.44) MAPTGAAHTTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917531-B1 PIPERAZINE DERIVATIVES AND OXYDATION DYES SCHWARZKOPF GMBH HANS (DE) 2002-01-09 EP disclosed
EP-0917531-A1 PIPERAZINE DERIVATIVES AND OXYDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-26 EP disclosed
WO-1998001434-A1 NEW PIPERAZINE DERIVATIVES AND OXYDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed