SCHEMBL27798985

SCHEMBL27798985

O=CC1CC(c2ccc(F)cc2)=NN1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ NR3C2 P08235 4/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ GLA P06280 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ EGFR P00533 2/20 0.55
▸ ERBB2 P04626 2/20 0.55
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ HPGD P15428 2/20 0.49
▸ ATM Q13315 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAOB P27338 1/20 0.45

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
SCHEMBL27555197 0.90 MEN1 (0.56) GAAMEN1KMT2AHSP90AA1NR3C2
SCHEMBL27778006 0.86 EGFR (0.55) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4254323 0.78 MEN1 (0.87) GAAMEN1KMT2AHSP90AA1NR3C2
SCHEMBL31429937 0.78 MEN1 (0.82) GAAMEN1KMT2AHSP90AA1NR3C2
SCHEMBL27883351 0.77 MAOB (0.52) MAOBNT5E
SCHEMBL27798998 0.75 PRKCZ (0.49) MEN1KMT2AHSP90AA1L3MBTL1ATM
SCHEMBL27955203 0.74 EGFR (0.71) GAAMEN1KMT2AHSP90AA1NR3C2
SCHEMBL19471296 0.74 GAA (0.73) GAAMEN1KMT2AHSP90AA1NR3C2
SCHEMBL27712033 0.74 MAPT (0.38) GAAMEN1KMT2ANR3C2L3MBTL1
SCHEMBL25178380 0.73 MAPT (0.48) GAAMEN1KMT2AL3MBTL1KDM4E

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
CN-101691356-A Method for synthesizing Baylis-Hillman addition compound containing 5-chloropyrazolo rings UNIV ZHEJIANG TECHNOLOGY 2010-04-07 — — CN disclosed
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