SCHEMBL3474779

SCHEMBL3474779

CCCCCCCCCCCCCCCC(=O)NCCN(C)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.43
HDAC1 Q13547 9/20 0.43
HDAC6 Q9UBN7 7/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
APAF1 O14727 3/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
GAA P10253 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPP1CA P62136 1/20 0.40
SENP8 Q96LD8 1/20 0.40
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.39
HTT P42858 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL3476243 0.83 MAPT (0.46) MAPTSMN1; SMN2APAF1SENP7SENP6
SCHEMBL2774055 0.83 MAPT (0.43) HDAC1HDAC6MAPTSMN1; SMN2APAF1
SCHEMBL3477405 0.81 GAA (0.46) MAPTSMN1; SMN2APAF1SENP7SENP6
SCHEMBL2791335 0.80 MAPT (0.44) HDAC1HDAC6MAPTSMN1; SMN2APAF1
SCHEMBL3475910 0.79 HDAC1 (0.41) HDAC1HDAC6MAPTSMN1; SMN2APAF1
SCHEMBL2773622 0.77 HRH4 (0.44) MAPTSMN1; SMN2APAF1SENP7SENP6
SCHEMBL2773055 0.77 SENP6 (0.49) HDAC1MAPTSMN1; SMN2APAF1SENP7
SCHEMBL2775160 0.76 HRH4 (0.43) MAPTSMN1; SMN2APAF1SENP7SENP6
SCHEMBL2787353 0.76 CNR1 (0.46) MAPTSMN1; SMN2GAAALDH1A1HTT
SCHEMBL2775659 0.76 MAPT (0.39) HDAC1HDAC6MAPTSMN1; SMN2APAF1

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