SCHEMBL28061471

SCHEMBL28061471

CS(=O)(=O)N1CCC(n2ccc(-c3ccc(Oc4ccccc4)cc3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.49
PRCP P42785 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
SCN4A P35499 2/20 0.43
TGFBR1 P36897 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SCN9A Q15858 1/20 0.38
NUDT14 O95848 1/20 0.38
NUDT5 Q9UKK9 1/20 0.38
MMP3 P08254 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL28061472 1.00 BTK (0.49) BTKPRCPSMN1; SMN2RECQLSCN4A
SCHEMBL28061492 0.93 SMN1; SMN2 (0.49) BTKPRCPSMN1; SMN2RECQLSCN4A
SCHEMBL27913885 0.86 BTK (0.51) BTKSMN1; SMN2SCN4ACA1CA2
SCHEMBL7050477 0.83 SCN4A (0.43) BTKSMN1; SMN2SCN4AALDH1A1NUDT14
SCHEMBL27896216 0.82 BTK (0.49) BTKSMN1; SMN2SCN4ACA1CA2
SCHEMBL27568293 0.80 BTK (0.45) BTKSMN1; SMN2SCN4AALDH1A1NUDT14
SCHEMBL28762063 0.80 BTK (0.42) BTKSCN4ACA1CA2HRH3
SCHEMBL28762061 0.80 BTK (0.42) BTKSCN4ACA1CA2HRH3
SCHEMBL28942737 0.79 SCN4A (0.35) BTKPRCPSMN1; SMN2SCN4ACA1
SCHEMBL28942739 0.79 SCN4A (0.35) BTKPRCPSMN1; SMN2SCN4ACA1

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