SCHEMBL9756633

SCHEMBL9756633

CC(O)CNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 9/20 0.47
MAPT P10636 9/20 0.47
SENP6 Q9GZR1 9/20 0.47
SENP7 Q9BQF6 8/20 0.47
GAA P10253 8/20 0.47
SENP8 Q96LD8 5/20 0.47
PPP1CA P62136 3/20 0.47
HRH4 Q9H3N8 2/20 0.46
GBA1 P04062 3/20 0.46
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
PABPC1 P11940 1/20 0.45
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 4/20 0.44
NSD2 O96028 3/20 0.44
THRB P10828 2/20 0.44

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
SCHEMBL6298691 0.81 SENP6 (0.51) APAF1MAPTSENP6SENP7GAA
SCHEMBL9215848 0.78 HRH4 (0.56) APAF1MAPTSENP6SENP7GAA
SCHEMBL3476846 0.77 CASP1 (0.50) APAF1MAPTSENP6SENP7GAA
SCHEMBL9217636 0.76 NUDT1 (0.68) APAF1MAPTSENP6SENP7GAA
SCHEMBL2773991 0.75 CXCR4 (0.50) APAF1MAPTSENP6SENP7GAA
SCHEMBL3475816 0.75 HRH4 (0.46) APAF1MAPTSENP6SENP7GAA
SCHEMBL23275374 0.74 ALDH1A1 (0.51) APAF1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL16094408 0.74 ALDH1A1 (0.51) APAF1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL16094407 0.74 ALDH1A1 (0.51) APAF1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL23299875 0.72 RAF1 (0.49) KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991011453-A2 5-OXYGENATED-2,4,6-TRIAMINOPYRIMIDINES THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed