SCHEMBL23367231

SCHEMBL23367231

C=C(N)C(CN)(NC(C)=O)C(C)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.32
CAD P27708 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL23367181 0.79 PIK3CD (0.32)
SCHEMBL17034712 0.67 CYP1A2 (0.41) PKMHTTALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL18334522 0.65 MMP8 (0.40) PKMKDM4EHTTALDH1A1HPGD
SCHEMBL23367183 0.64 MAOA (0.38) ALDH1A1MEN1KMT2A
SCHEMBL13070248 0.64 ALDH1A1 (0.42) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL20569154 0.64 ALDH1A1 (0.42) PKMHTTALDH1A1HPGDMEN1
SCHEMBL23366825 0.63 TDP1 (0.33) KDM4E
SCHEMBL13537856 0.61 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AALOX15
SCHEMBL803891 0.61 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AALOX15
SCHEMBL803804 0.61 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AALOX15

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-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed