SCHEMBL27946398

SCHEMBL27946398

Cc1c(F)cccc1C(=O)Nc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 8/20 0.55
LMNA P02545 4/20 0.54
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 2/20 0.48
PTGS1 P23219 1/20 0.46
SNCA P37840 1/20 0.45

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
SCHEMBL30739965 0.88 LMNA (0.71) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL94664 0.85 MEN1 (0.58) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL1826301 0.84 MEN1 (0.62) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL679040 0.84 MEN1 (0.83) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL7331132 0.84 MEN1 (0.57) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL27928793 0.79 MEN1 (0.55) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL678422 0.79 JAK2 (0.65) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL8402954 0.78 KMT2A (0.64) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL679010 0.78 HPGD (0.74) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL17063932 0.77 P2RX7 (0.50) MEN1KMT2ATDP1SMN1; SMN2NPC1

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-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed