SCHEMBL28746540

SCHEMBL28746540

CC(C)C(=O)N(C)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.46
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP9 P14780 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
UGT2B7 P16662 1/20 0.42
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP8 P22894 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL28393290 0.83 ALDH1A1 (0.41) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL1695083 0.80 ACHE (0.46) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL1137614 0.80 PDK2 (0.47) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL14385153 0.79 PLAU (0.45) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL1139982 0.77 MLYCD (0.54) MLYCDKDM4ELMNAL3MBTL1
SCHEMBL2097822 0.76 LMNA (0.45) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL3303314 0.76 MEN1 (0.39) KDM4EGAAHTTNPSR1L3MBTL1
SCHEMBL18935755 0.75 MLYCD (0.50) MLYCDKDM4ENPSR1ALDH1A1
SCHEMBL2097821 0.75 LMNA (0.41) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL4083016 0.75 KDM4E (0.49) KDM4ELMNAGAAMAPTMAPK1

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-114539121-A A novel, photo-promoted process for the preparation of sulfonates and sulfonamides from sulfonyl chlorides 天津师范大学 2022-05-27 CN disclosed