SCHEMBL22201156

SCHEMBL22201156

O=C1CC[C@@H](c2cccc(Br)c2)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
POLB P06746 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM1A O60341 3/20 0.42
EPAS1 Q99814 4/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL18341407 1.00 DDB1 (0.44) DDB1CRBNPOLBPDE4APDE4B
SCHEMBL19471140 0.84 POLB (0.47) POLBKDM4EALDH1A1HPGDTSHR
SCHEMBL3733164 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL432587 0.80 KDM4E (0.44) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL8530679 0.80 KMT2A (0.49) DDB1CRBNPOLBKDM4EALDH1A1
SCHEMBL24282883 0.80 MDM2 (0.61) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL10400359 0.80 CRBN (0.59) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL22201147 0.79 PDE4A (0.44) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL4142288 0.79 PDE4A (0.44) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL482061 0.79 PDE4A (0.44) DDB1CRBNPDE4APDE4BPDE4C

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