SCHEMBL28774867

SCHEMBL28774867

O=CC1CC(C2CC2)=NN1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ ATM Q13315 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GLA P06280 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ PRKCZ Q05513 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL28770717 0.80 KDM4E (0.35) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL25178380 0.78 MAPT (0.48) MEN1KMT2AATMMAPTTDP1
SCHEMBL31429944 0.76 MEN1 (0.51) MEN1KMT2AATMMAPTTDP1
SCHEMBL28774865 0.71 HCAR1 (0.36) —
SCHEMBL28436430 0.65 MAPT (0.40) MAPTTDP1L3MBTL1KDM4EMAPK1
SCHEMBL570426 0.64 USP30 (0.39) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL28523211 0.63 KMT2A (0.47) MEN1KMT2AMAPTKDM4EPRKCZ
SCHEMBL28433432 0.62 MAPT (0.38) MEN1KMT2AATMMAPTL3MBTL1
SCHEMBL11064855 0.61 MEN1 (0.54) MEN1KMT2AATMMAPTTDP1
SCHEMBL23064587 0.61 FFAR1 (0.46) KMT2AL3MBTL1

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
CN-101243050-B Pyrazolone derivatives HOFFMANN LA ROCHE 2012-07-04 — — CN disclosed
CN-101243050-A Pyrazolone derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN disclosed
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