SCHEMBL12719565

SCHEMBL12719565

COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GSK3B P49841 1/20 0.50
POLB P06746 3/20 0.49
GSK3A P49840 1/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
IGF1R P08069 1/20 0.45
KDR P35968 3/20 0.43
TEK Q02763 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
CSF1R P07333 1/20 0.41
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL938402 0.83 RAF1 (0.58) MEN1KMT2ASMN1; SMN2POLBIGF1R
SCHEMBL4185779 0.79 RAF1 (0.58) MEN1KMT2AIGF1RKDR
SCHEMBL2328292 0.79 RAF1 (0.49) MEN1KMT2ASMN1; SMN2POLBIGF1R
SCHEMBL4173358 0.79 RAF1 (0.52) MEN1KMT2ASMN1; SMN2IGF1RKDR
SCHEMBL4172684 0.78 RAF1 (0.48) MEN1KMT2ASMN1; SMN2IGF1RKDR
SCHEMBL257963 0.78 RAF1 (0.59) MEN1KMT2AGSK3BMAOAKDR
SCHEMBL261957 0.78 MAPT (0.49) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12749714 0.77 MEN1 (0.47) MEN1KMT2ASMN1; SMN2POLBIGF1R
SCHEMBL7574156 0.74 MEN1 (0.57) MEN1KMT2ASMN1; SMN2HPGDTSHR
SCHEMBL1506401 0.73 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HPGDTSHR

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
US-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 US disclosed