SCHEMBL7938772

SCHEMBL7938772

C=CC(N=P)n1nnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
DGAT1 O75907 1/20 0.37
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL7938766 0.84 SLC9A1 (0.40) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL13679333 0.77 SLC9A1 (0.48) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL7526304 0.76 ALDH1A1 (0.47) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL1395522 0.76 POLB (0.47) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL31107032 0.72 SLC9A1 (0.40) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL29479858 0.72 SLC9A1 (0.54) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL6794284 0.72 SLC9A1 (0.54) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL8060038 0.69 ALDH1A1 (0.52) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL8062145 0.69 SLC9A1 (0.52) SLC9A1ALDH1A1CYP1A2POLBMAPK1
SCHEMBL5695228 0.69 KCNMA1 (0.44) SLC9A1ALDH1A1CYP1A2POLBMAPK1

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
EP-0942947-B1 FLAME-RESISTANT THERMOPLASTIC MOULDING COMPOUNDS BASED ON POLYARYLENE ETHERS BASF AG (DE) 2001-04-04 EP disclosed