SCHEMBL3477403

SCHEMBL3477403

CCCCOc1ccc(C(=O)NCCNCCCNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
APAF1 O14727 3/20 0.48
GAA P10253 3/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
PPP1CA P62136 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 0.88 GAA (0.46) MAPTAPAF1GAASENP8SENP7
SCHEMBL3476243 0.75 MAPT (0.46) MAPTAPAF1GAASENP8SENP7
SCHEMBL2813898 0.74 SENP6 (0.39) MAPTAPAF1GAASENP8SENP7
SCHEMBL3477418 0.71 CA9 (0.54) MAPTAPAF1GAASENP8SENP7
SCHEMBL2770739 0.71 ALDH1A1 (0.53) MAPTAPAF1GAASENP8SENP7
SCHEMBL3476026 0.70 MAPT (0.64) MAPTAPAF1GAASENP8SENP7
SCHEMBL28570651 0.68 NPC1 (0.68) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL2815529 0.67 HSD17B10 (0.49) MAPTAPAF1GAASENP8SENP7
SCHEMBL11758728 0.67 NPC1 (0.77) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL3477427 0.66 RAF1 (0.49) MAPTAPAF1GAASENP8SENP7

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