SCHEMBL22201159

SCHEMBL22201159

O=C1CC[C@@H](/C=C/c2ccccc2)N1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CTSK P43235 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL21121183 1.00 KDM1A (0.44) KDM1AALDH1A1LMNAMAPTMEN1
SCHEMBL5413534 0.89 LMNA (0.39) KDM1AALDH1A1LMNAMAPTMEN1
SCHEMBL817759 0.71 KDM1A (0.50) KDM1AALDH1A1LMNAMAPTMEN1
SCHEMBL4950858 0.71 MAPT (0.42) KDM1AALDH1A1LMNAMAPTMEN1
SCHEMBL4950851 0.71 MAPT (0.42) KDM1AALDH1A1LMNAMAPTMEN1
SCHEMBL4950846 0.71 MAPT (0.42) KDM1AALDH1A1LMNAMAPTMEN1
SCHEMBL4813568 0.71 KDM1A (0.46) KDM1A
SCHEMBL14178970 0.71 KDM1A (0.46) KDM1A
SCHEMBL4809330 0.71 KDM1A (0.46) KDM1A
SCHEMBL4813564 0.71 KDM1A (0.46) KDM1A

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-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed