SCHEMBL4749968

SCHEMBL4749968

COc1ccc(C=CC(=O)N2CCN(c3nc(C(C)(C)C)cc4c3C(=O)OCC4)CC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR183 P32249 1/20 0.41
PTGS2 P35354 2/20 0.39
ACHE P22303 2/20 0.39
PTGS1 P23219 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4749877 0.88 KDM4E (0.46) KDM4ESMN1; SMN2LMNAGAATDP1
SCHEMBL4809360 0.86 L3MBTL1 (0.53) KDM4ESMN1; SMN2LMNATDP1HPGD
SCHEMBL4817000 0.81 ME2 (0.44) KDM4ESMN1; SMN2LMNAGAAHPGD
SCHEMBL4747050 0.79 KDM4E (0.52) KDM4ESMN1; SMN2LMNAGAAHPGD
SCHEMBL4749902 0.76 GPR183 (0.53) ALDH1A1MAPTGPR183ACHENPC1
SCHEMBL4747137 0.74 L3MBTL1 (0.53) KDM4ESMN1; SMN2LMNATDP1HPGD
SCHEMBL4749260 0.71 CCNC (0.38) KDM4ESMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL4804100 0.71 ALDH1A1 (0.55) KDM4ELMNAGAAHPGDALDH1A1
SCHEMBL4380520 0.70 GAA (0.61) KDM4ESMN1; SMN2LMNAGAATDP1
SCHEMBL14190916 0.70 GAA (0.61) KDM4ESMN1; SMN2LMNAGAATDP1

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-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed