SCHEMBL6703652

SCHEMBL6703652

COc1cc(-c2nc(NC(=O)c3cc4cc(C)ccc4n3CC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCKAR P32238 1/20 0.38
F10 P00742 1/20 0.36
MAPT P10636 6/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
MDM2 Q00987 6/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6703723 0.94 F10 (0.36) MEN1KMT2ACCKARF10MAPT
SCHEMBL7686588 0.93 F10 (0.36) MEN1KMT2ACCKARF10MAPT
SCHEMBL7688738 0.92 MEN1 (0.46) MEN1KMT2ACCKARF10
SCHEMBL6704409 0.90 MAPT (0.32) MEN1KMT2ACCKARF10MAPT
Trifluoroacetic Acid SCHEMBL7682402 0.89 ATM (0.36) MEN1KMT2ACCKARF10MAPT
SCHEMBL6702244 0.88 RXFP1 (0.37) MEN1KMT2AMAPTTP53LMNA
SCHEMBL6704664 0.87 SAE1 (0.33) F10MAPTTP53LMNANPC1
SCHEMBL7679713 0.87 MEN1 (0.40) MEN1KMT2ACCKARF10
SCHEMBL6702793 0.87 MAPT (0.37) MEN1KMT2AMAPTTP53NPC1
SCHEMBL7684403 0.86 F10 (0.35) MEN1KMT2AF10MAPTTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed