SCHEMBL8904239

SCHEMBL8904239

N=C(N)c1ccc(C(CCC(=O)ON)(C(=O)CCC(N)=O)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
F7 P08709 2/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F3 P13726 1/20 0.36
PKM P14618 1/20 0.36
WDR5 P61964 1/20 0.36
KIF11 P52732 1/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRSS1 P07477 4/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
C1S P09871 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL8905841 0.90 F2 (0.36) F2F7F10F12F3
SCHEMBL27849093 0.74 CYP2D6 (0.40) KIF11BLMLMNACHRM2CYP2D6
SCHEMBL8903581 0.72 WDR5 (0.41) F2F7F10F12F3
SCHEMBL8905731 0.71 ITGB3 (0.35) F2PRSS1PRSS2PRSS3PLG
SCHEMBL4153935 0.70 CHRM3 (0.55) BLMLMNACHRM2CYP2D6CHRM1
SCHEMBL8904367 0.69 PRSS1 (0.34) F2F10PRSS1PRSS2PRSS3
SCHEMBL8904782 0.69 PRSS1 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL4138872 0.66 CHRM3 (0.54) BLMLMNACHRM2CYP2D6CHRM1
SCHEMBL8503669 0.66 CPN1 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL8904636 0.66 PRSS1 (0.35) F2F10CHRM2CYP2D6KCNH2

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
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed