SCHEMBL25041563

SCHEMBL25041563

O=C(c1ccc2c(ccc(=O)n2-c2ccc(C(F)(F)F)cc2)c1)N1CC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.50
HPGD P15428 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
PDK2 Q15119 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
ACACA Q13085 3/20 0.39
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ACACB O00763 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
HSD11B1 P28845 1/20 0.36
KDM1A O60341 1/20 0.36
TEAD1 P28347 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
SCHEMBL25042771 0.88 MGLL (0.47) MGLLHPGDMEN1KMT2ATSHR
SCHEMBL25042657 0.81 TEAD1 (0.51) MGLLSCN9ATEAD1TEAD4TEAD2
SCHEMBL25042658 0.77 NOTUM (0.41) SCN9AALDH1A1LMNAHTTTEAD1
SCHEMBL25042677 0.76 MGLL (0.52) MGLLHPGDMRGPRX4PDK2MEN1
SCHEMBL25043183 0.75 NPSR1 (0.49) HPGDMRGPRX4PDK2SCN9ATEAD1
SCHEMBL25041616 0.73 TEAD1 (0.53) MGLLHPGDMRGPRX4PDK2MEN1
SCHEMBL30561334 0.70 PDK2 (0.44) MGLLHPGDMRGPRX4PDK2GAA
SCHEMBL25380656 0.70 PDK2 (0.44) MGLLHPGDMRGPRX4PDK2GAA
SCHEMBL25043186 0.69 HPGD (0.48) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL30561434 0.69 KDM1A (0.47) HPGDMRGPRX4MEN1KMT2ATSHR

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-2023016562-A1 POLYCYCLIC COMPOUND AND USE THEREOF 浙江同源康医药股份有限公司 2023-02-16 WO disclosed