SCHEMBL4276830

SCHEMBL4276830

Brc1cccc(-n2ccc3cc[c]cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
BIRC5 O15392 1/20 0.32
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
MAP3K14 Q99558 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL16719968 0.82 FGFR1 (0.40) MEN1KMT2AROCK2PIM1PIM3
SCHEMBL16719992 0.82 HPGDS (0.36) MGLLKMT2AROCK2PIM1PIM3
SCHEMBL16720096 0.82 MAPT (0.42) MEN1KMT2AROCK2PIM1PIM3
SCHEMBL145426 0.80 BIRC5 (0.44) BIRC5ATM
SCHEMBL6321218 0.79 BIRC5 (0.51) MGLLMEN1KMT2AROCK2PIM1
SCHEMBL16720387 0.78 CFTR (0.38) ROCK2PIM1PIM3F2F10
SCHEMBL16720474 0.77 ROCK2 (0.55) ROCK2PIM1PIM3F2F10
SCHEMBL16720477 0.73 TDP2 (0.39) ALDH1A1ATM
SCHEMBL20180558 0.73 MEN1 (0.39) MGLLMEN1KMT2AROCK2PIM1
SCHEMBL16719505 0.71 BIRC5 (0.39) BIRC5CDC7CDK2ALDH1A1ATM

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-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed