SCHEMBL3476243

SCHEMBL3476243

CCCCCCCCc1ccc(C(=O)NCCN(C)CCNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
APAF1 O14727 4/20 0.46
GAA P10253 4/20 0.46
SENP7 Q9BQF6 3/20 0.46
SENP6 Q9GZR1 3/20 0.46
SENP8 Q96LD8 2/20 0.46
PPP1CA P62136 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
KDM5A P29375 1/20 0.42
NAPEPLD Q6IQ20 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3477405 0.87 GAA (0.46) MAPTAPAF1GAASENP7SENP6
SCHEMBL2789360 0.84 APAF1 (0.52) MAPTAPAF1GAASENP7SENP6
SCHEMBL3474779 0.83 DNM1 (0.43) MAPTAPAF1GAASENP7SENP6
SCHEMBL3477418 0.83 CA9 (0.54) MAPTAPAF1GAASENP7SENP6
SCHEMBL3476026 0.82 MAPT (0.64) MAPTAPAF1GAASENP7SENP6
SCHEMBL3475711 0.79 GAA (0.44) MAPTAPAF1GAASENP7SENP6
SCHEMBL3476638 0.78 GAA (0.45) MAPTAPAF1GAASENP7SENP6
SCHEMBL2774055 0.78 MAPT (0.43) MAPTAPAF1GAASENP7SENP6
SCHEMBL3477429 0.78 APAF1 (0.43) MAPTAPAF1GAASENP7SENP6
SCHEMBL3476321 0.77 MAPT (0.48) MAPTAPAF1GAASENP7SENP6

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
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO claimed
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed