SCHEMBL16167166

SCHEMBL16167166

O=C1c2ccccc2C(=O)c2oc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CDC25B P30305 1/20 0.48
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
USP1 O94782 2/20 0.41
USP19 O94966 2/20 0.41
UCHL3 P15374 1/20 0.41
PTPRC P08575 3/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.41
APAF1 O14727 1/20 0.41
TERT O14746 1/20 0.41
PLIN1 O60240 1/20 0.41

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
SCHEMBL28705 0.76 STAT3 (0.56) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL6577994 0.76 STAT3 (0.61) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL22325627 0.76 ALDH1A1 (0.56) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL19669614 0.74 STAT3 (0.59) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL22730655 0.74 PTPRC (0.38) STAT3ALDH1A1MEN1KMT2ABCL2
SCHEMBL1887185 0.73 STAT3 (0.69) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL30422 0.73 STAT3 (0.57) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL12640092 0.73 STAT3 (0.53) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL18691830 0.73 STAT3 (0.53) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL10068407 0.73 ALDH1A1 (0.53) STAT3ALDH1A1MEN1KMT2ACDC25B

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
EP-2983790-A2 METHODS FOR TREATING CANCER Boston Biomedical, Inc. (US) 2016-02-17 EP disclosed
WO-2014169078-A2 METHODS FOR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2014-10-16 WO disclosed