SCHEMBL28450899

SCHEMBL28450899

Cn1cc(C#N)c(-c2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
IMPDH2 P12268 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHUK O15111 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCAT1 P54687 1/20 0.36
ADORA2B P29275 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
SCHEMBL28896997 0.84 BCAT1 (0.35) CYP11B1CYP11B2IMPDH2ALDH1A1KDM4E
SCHEMBL28438987 0.81 TSHR (0.48) IMPDH2MEN1KMT2ALMNATSHR
SCHEMBL28446642 0.79 IMPDH2 (0.39) IMPDH2ALDH1A1KDM4EGAATSHR
SCHEMBL28440611 0.79 L3MBTL1 (0.43) IMPDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28447303 0.79 AR (0.51)
SCHEMBL28444798 0.77 KCNN4 (0.47) IMPDH2ALDH1A1KDM4EHPGDGAA
SCHEMBL1779746 0.77 KDM4E (0.47) IMPDH2ALDH1A1KDM4EHPGDGAA
SCHEMBL2650416 0.75 ESR2 (0.48) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL28434947 0.75 TSHR (0.41) IMPDH2ALDH1A1KDM4ETSHR
SCHEMBL10512649 0.74 KDM4E (0.33) CYP11B1CYP11B2ALDH1A1KDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393348-B Nitrogen-substituted phenylpyrrole compound and application thereof in plant sterilization 黑龙江大学 2023-03-28 CN claimed
CN-111393348-A Nitrogen-substituted phenylpyrrole compound and application thereof in plant sterilization 黑龙江大学 2020-07-10 CN claimed
CN-111393348-B Nitrogen-substituted phenylpyrrole compound and application thereof in plant sterilization 黑龙江大学 2023-03-28 CN disclosed
CN-111393348-A Nitrogen-substituted phenylpyrrole compound and application thereof in plant sterilization 黑龙江大学 2020-07-10 CN disclosed