SCHEMBL9729755

SCHEMBL9729755

Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SORD Q00796 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.42
ADK P55263 2/20 0.41
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL9731571 0.83 LMNA (0.50) LMNA
SCHEMBL9729927 0.77 MEN1 (0.60) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL207751 0.74 CYP1A2 (0.41) KDM4EKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12497703 0.74 HRH4 (0.57) KDM4EALDH1A1MAPTMAPK1
SCHEMBL15114915 0.73 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL11981553 0.73 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL7588700 0.72 SORD (0.68) SORDKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28217397 0.72 SMN1; SMN2 (0.53) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16091229 0.72 CYP1A2 (0.41) KDM4ESMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL13149496 0.72 KDM4E (0.68) SORDKDM4EMEN1KMT2AL3MBTL1

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
US-5138058-A Diabetic screening HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0384370-A1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed