SCHEMBL723300

SCHEMBL723300

CC1=Nc2ccc(CN3C(=O)c4ccccc4C3=O)c(CCCS(=O)(=O)O)c2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
RECQL P46063 2/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CASP3 P42574 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL7158024 0.71 KMT2A (0.34) KMT2AMEN1PDCD1CD274RECQL
SCHEMBL5072444 0.71 MEN1 (0.37) KMT2AMEN1
SCHEMBL18894226 0.71 MEN1 (0.37) KMT2AMEN1
SCHEMBL5556294 0.69 MEN1 (0.35) KMT2AMEN1
SCHEMBL5175427 0.68 MEN1 (0.38) KMT2AMEN1
SCHEMBL11848984 0.68 TGM2 (0.44) KMT2AMEN1PDCD1CD274RECQL
SCHEMBL2957950 0.68 MEN1 (0.45) KMT2AMEN1
SCHEMBL101512 0.66 HPGD (0.47) KMT2AMEN1RECQLMAPTTSHR
SCHEMBL11857466 0.66 MAPT (0.40) KMT2AMEN1RECQLMAPTACHE
SCHEMBL918303 0.65 TDP1 (0.51) MAPTCYP1A2CYP2C19SMN1; SMN2

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
WO-2012027618-A2 FUNCTIONALIZED CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed