SCHEMBL28864463

SCHEMBL28864463

N#CCc1ccccc1C(=O)c1ccccc1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 3/20 0.50
AKR1C3 P42330 1/20 0.48
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6751472 0.98 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4137654 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL10396347 0.84 LMNA (0.52) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4592590 0.83 CES2 (0.48) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL7176149 0.82 AKR1C3 (0.52) ALDH1A1MAPTAKR1C3GAACYP19A1
SCHEMBL2422410 0.82 FOLH1 (0.53) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL7194210 0.81 AKR1C3 (0.50) ALDH1A1KMT2AMAPTAKR1C3GAA
SCHEMBL29394876 0.81 AKR1C3 (0.50) ALDH1A1KMT2AMAPTAKR1C3GAA
SCHEMBL9427493 0.81 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL11036287 0.79 AKR1C3 (0.61) ALDH1A1MAPTAKR1C3GAACYP19A1

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-110396054-B Green synthesis method of kresoxim-methyl 京博农化科技有限公司 2022-09-20 CN disclosed