SCHEMBL9488294

SCHEMBL9488294

CC(C(=O)O)=C(C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SIRT2 Q8IXJ6 15/20 0.37
ENPP2 Q13822 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR4A2 P43354 1/20 0.33
RXRG P48443 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
NMBR P28336 1/20 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
SCHEMBL9488291 1.00 CYP11B1 (0.37) CYP11B1CYP11B2SIRT2ENPP2RXRA
SCHEMBL9488286 1.00 CYP11B1 (0.37) CYP11B1CYP11B2SIRT2ENPP2RXRA
SCHEMBL1040045 0.85 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL670904 0.82 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL5682164 0.82 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2ENPP2FLT3
SCHEMBL8373202 0.79 CYP11B1 (0.39) CYP11B1CYP11B2SIRT2ENPP2FLT3
SCHEMBL28422181 0.79 ADA (0.47) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL693097 0.79 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2NMBR
SCHEMBL1414845 0.78 SIRT2 (0.41) CYP11B1CYP11B2SIRT2ENPP2NMBR
SCHEMBL1829222 0.78 SIRT2 (0.47) SIRT2

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
EP-0338939-B1 HISTAMINE DERIVATIVE, PROCESS FOR HIS PREPARATION AND HIS THERAPEUTIC APPLICATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 EP disclosed
US-5034539-A Histamine derivative, process for preparing it and its therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1991-07-23 US disclosed
EP-0338939-A1 Histamine derivative, process for his preparation and his therapeutic application INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1989-10-25 EP disclosed