SCHEMBL28061492

SCHEMBL28061492

CS(=O)(=O)N1CCC(n2ccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RECQL P46063 2/20 0.49
SCN4A P35499 2/20 0.44
BTK Q06187 4/20 0.44
PRCP P42785 1/20 0.43
SCN9A Q15858 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PRMT5 O14744 1/20 0.39
ACP1 P24666 2/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
MMP3 P08254 1/20 0.38
MAP4K1 Q92918 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
SCHEMBL28061472 0.93 BTK (0.49) SMN1; SMN2RECQLSCN4ABTKPRCP
SCHEMBL28061471 0.93 BTK (0.49) SMN1; SMN2RECQLSCN4ABTKPRCP
SCHEMBL27896216 0.86 BTK (0.49) SMN1; SMN2SCN4ABTKCA1CA2
SCHEMBL27913885 0.82 BTK (0.51) SMN1; SMN2SCN4ABTKCA1CA2
SCHEMBL6640044 0.81 BTK (0.46) SCN4ABTKALDH1A1
SCHEMBL7047879 0.78 SCN4A (0.47) SCN4ABTK
SCHEMBL7050477 0.78 SCN4A (0.43) SMN1; SMN2SCN4ABTKALDH1A1
SCHEMBL23217070 0.78 BTK (0.52) SCN4ABTK
SCHEMBL5803668 0.78 DRD4 (0.54) SCN4A
SCHEMBL5803839 0.78 HCK (0.46) SCN4ABTK

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
CN-105481862-A Novel inhibitors of FLT3 kinase and uses thereof HEFEI INST PHYSICAL SCI CAS 2016-04-13 CN claimed
CN-105481862-A Novel inhibitors of FLT3 kinase and uses thereof HEFEI INST PHYSICAL SCI CAS 2016-04-13 CN disclosed