SCHEMBL7086907

SCHEMBL7086907

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(Br)c(OC)cc3OC)c(C(C)C3CCCCC3)s2)cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.38
SCD O00767 1/20 0.36
MEN1 O00255 1/20 0.36
CCKAR P32238 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.35
F2 P00734 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GPX4 P36969 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
IMPDH2 P12268 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
SCHEMBL7679713 0.91 MEN1 (0.40) F10MEN1CCKARKMT2ACNR2
SCHEMBL6703562 0.87 MAPT (0.33) SCDKMT2ATP53MAPTTRPV4
SCHEMBL7688738 0.85 MEN1 (0.46) F10MEN1CCKARKMT2ACNR2
SCHEMBL6702299 0.84 TRPV4 (0.38) F10SCDMEN1CCKARKMT2A
SCHEMBL7688495 0.84 MEN1 (0.39) F10MEN1CCKARKMT2ACNR2
SCHEMBL6702438 0.84 MAPT (0.38) MEN1KMT2ATP53MAPT
SCHEMBL6703723 0.83 F10 (0.36) F10MEN1CCKARKMT2ATP53
SCHEMBL6704665 0.83 CHRM4 (0.33) KMT2ATP53MAPT
SCHEMBL7086912 0.82 SCD (0.36) F10SCDMEN1CCKARKMT2A
SCHEMBL6704664 0.81 SAE1 (0.33) F10TP53MAPT

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-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