SCHEMBL9052274

SCHEMBL9052274

CCOC(=O)C(c1ccncc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MMP8 P22894 1/20 0.47
KCNA5 P22460 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PIN1 Q13526 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCB11 O95342 1/20 0.42
GABRA2 P47869 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL2301980 0.91 MMP8 (0.54) KMT2AMMP8SMN1; SMN2PIN1MEN1
SCHEMBL4534323 0.83 CYP1A2 (0.53) MMP8LMNASMN1; SMN2HTTPIN1
SCHEMBL5728738 0.82 KMT2A (0.64) KMT2AMMP8SMN1; SMN2PIN1MEN1
SCHEMBL1645937 0.78 MMP8 (0.51) KMT2AMMP8LMNASMN1; SMN2PIN1
SCHEMBL1646940 0.78 MMP8 (0.51) KMT2AMMP8LMNASMN1; SMN2PIN1
SCHEMBL28497599 0.77 MMP8 (0.54) KMT2AMMP8SMN1; SMN2PIN1MEN1
SCHEMBL1661290 0.77 MMP8 (0.54) KMT2AMMP8SMN1; SMN2PIN1MEN1
SCHEMBL21555695 0.76 MMP8 (0.53) KMT2AMMP8SMN1; SMN2PIN1MEN1
SCHEMBL25600199 0.76 MMP8 (0.53) KMT2AMMP8SMN1; SMN2PIN1MEN1
SCHEMBL28258997 0.76 MMP8 (0.53) KMT2AMMP8SMN1; SMN2PIN1MEN1

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
JP-8268949-A None JP disclosed
JP-H08268949-A DIPHENYLMETHYLENE DERIVATIVE EISAI CO LTD 1996-10-15 JP disclosed