SCHEMBL21157263

SCHEMBL21157263

CNc1ccc(Cl)cc1CCC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
ALOX12 P18054 2/20 0.35
HIF1A Q16665 2/20 0.35
USP2 O75604 2/20 0.35
HPGD P15428 2/20 0.35
SLC22A1 O15245 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35
HSPA5 P11021 1/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 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
SCHEMBL25900006 0.83 KDM4E (0.45) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL26079676 0.81 PRKCI (0.34) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8293208 0.81 MEN1 (0.35) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20708199 0.79 GAA (0.43) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL21157880 0.78 CHRM2 (0.40) ALDH1A1IDO1HTTHSD17B10
SCHEMBL25900868 0.78 TYR (0.36) MAPTLMNARAB9ANPC1
SCHEMBL7550128 0.77 CYP3A4 (0.39) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL22048699 0.77 KDM4E (0.41) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL27860623 0.77 TDP1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11259285 0.75 GAA (0.49) KDM4EALDH1A1GLAGAAALOX15

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
WO-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed