SCHEMBL9052941

SCHEMBL9052941

CCC(CC)(O[PH](=O)O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 11/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL1463877 0.80 EGFR (0.55) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL8922268 0.76 CYP3A4 (0.49) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL1463590 0.75 CYP3A4 (0.60) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL1464587 0.75 EGFR (0.67) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL7770722 0.74 CYP3A4 (0.42) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL7770742 0.73 CYP3A4 (0.46) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL7770758 0.73 CYP3A4 (0.48) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL7768661 0.72 CYP3A4 (0.46) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL7768662 0.72 CYP3A4 (0.46) EGFRKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL7769129 0.72 CYP3A4 (0.44) EGFRKMT2AKDM4EHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8143586-A None JP disclosed
JP-H08143586-A PHOSPHONIC ACID DIESTER DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1996-06-04 JP disclosed