SCHEMBL8533951

SCHEMBL8533951

CN(N=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
ENPP1 P22413 5/20 0.38
ENPP3 O14638 4/20 0.38
ENPP2 Q13822 3/20 0.38
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PPARA Q07869 2/20 0.36
FABP2 P12104 1/20 0.36
PPARG P37231 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 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
SCHEMBL8536028 0.87 ENPP1 (0.39) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8533933 0.86 CYP11B1 (0.38) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8537760 0.86 KMT2A (0.36) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8535326 0.84 ENPP1 (0.36) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8538884 0.83 CYP11B1 (0.39) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8538952 0.82 CYP11B1 (0.37) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8538950 0.82 CYP11B1 (0.38) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL9078689 0.79 PSEN1 (0.35) CYP11B1CYP11B2ENPP1ENPP3ENPP2
SCHEMBL8533900 0.79 CA1 (0.46) ENPP1ENPP3ENPP2CXCR2CXCR1
SCHEMBL7108334 0.79 CA1 (0.46) ENPP1ENPP3ENPP2CXCR2CXCR1

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
EP-0662472-B1 Hydrazone derivates as pesticides CIBA GEIGY AG (CH) 1998-03-11 EP disclosed
EP-0662472-A1 Hydrazone derivates as pesticides CIBA-GEIGY AG (CH) 1995-07-12 EP disclosed