SCHEMBL7445280

SCHEMBL7445280

CCc1cc2c(ccc(=O)n2Cc2ccc(P(=O)(O)c3ccccc3)cc2)c(CC)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
KDM4E B2RXH2 4/20 0.36
EGLN1 Q9GZT9 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A12 Q96S37 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL7443975 0.99 MAT2A (0.38) MAT2AKDM4EEGLN1ALDH1A1GAA
SCHEMBL7450565 0.90 MAT2A (0.37) MAT2AKDM4EEGLN1ALDH1A1GAA
SCHEMBL7283343 0.82 KDM4E (0.43) KDM4EALDH1A1GAAHSD17B10MEN1
SCHEMBL7276889 0.81 AGTR1 (0.46)
SCHEMBL7331126 0.80 KDM4E (0.42) MAT2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL7274884 0.80 DCTPP1 (0.45) MAT2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL7274709 0.79 PPARG (0.52)
SCHEMBL7435415 0.79 KDM4E (0.40) MAT2AKDM4EEGLN1ALDH1A1GAA
SCHEMBL9350388 0.78 CCR2 (0.43) EGLN1
SCHEMBL9430324 0.78 PTGDR2 (0.39) EGLN1ALDH1A1MAPTSMN1; SMN2SLC22A12

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
WO-1993024501-A1 PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS AS ANGIOTENSINS ANTAGONISTS ZENECA LIMITED (GB) 1993-12-09 WO claimed