SCHEMBL11398697

SCHEMBL11398697

CS/C(=C\C(=O)c1ccccc1)SC1CC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 4/20 0.42
NFE2L2 Q16236 1/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 3/20 0.37
THRB P10828 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 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
SCHEMBL11398702 1.00 MEN1 (0.59) MEN1KMT2AMAPTNFE2L2HPGD
SCHEMBL11398705 1.00 MEN1 (0.59) MEN1KMT2AMAPTNFE2L2HPGD
SCHEMBL5931364 0.77 MEN1 (1.00) MEN1KMT2AMAPTNFE2L2HPGD
SCHEMBL10954720 0.76 ALDH1A1 (0.40) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL9384993 0.76 ALDH1A1 (0.40) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL10954717 0.76 ALDH1A1 (0.40) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL13618094 0.69 MEN1 (0.76) MEN1KMT2AMAPTNFE2L2HPGD
SCHEMBL10949094 0.66 PAM (0.45) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL10949089 0.66 PAM (0.45) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL28474124 0.65 MEN1 (0.74) MEN1KMT2AMAPTNFE2L2HPGD

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
JP-56025154-A None JP disclosed
JP-S5625154-A AZETIDINONE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1981-03-10 JP disclosed