SCHEMBL23458643

SCHEMBL23458643

O=C(O)N1CCc2cc(C(F)F)cc(Br)c2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 6/20 0.41
ACACB O00763 1/20 0.33
BAZ2B Q9UIF8 2/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL23458633 0.84 PTPN2 (0.34) ABHD6ACACBBAZ2BESR1ESR2
SCHEMBL22775930 0.81 ESR2 (0.50) ABHD6ESR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29522876 0.81 ESR2 (0.50) ABHD6ESR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30068990 0.79 SPR (0.39) ABHD6BAZ2BESR1ESR2ALDH1A1
SCHEMBL29150748 0.79 SPR (0.39) ABHD6BAZ2BESR1ESR2ALDH1A1
SCHEMBL29168587 0.78 ABHD6 (0.36) ABHD6BAZ2BALDH1A1HPGDHTT
SCHEMBL29168642 0.77 KMT2A (0.36) ABHD6ALDH1A1HPGDKDM4ETSHR
SCHEMBL23705993 0.77 ESR1 (0.47) ABHD6ACACBESR1ESR2ALDH1A1
SCHEMBL30204981 0.77 ACACB (0.49) ABHD6ACACBESR1ESR2HPGD
SCHEMBL29236998 0.75 ABHD6 (0.32) ABHD6BAZ2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026094-B PRMT5 inhibitors 印度鲁宾有限公司 2024-06-25 CN disclosed
EP-4069698-A1 SUBSTITUTED NUCLEOSIDE ANALOGS AS PRMT5 INHIBITORS Lupin Limited (IN) 2022-10-12 EP disclosed
CN-115135651-A Substituted nucleoside analogs as PRMT5 inhibitors 鲁皮恩有限公司 2022-09-30 CN disclosed
CN-114026094-A PRMT5 inhibitor 印度鲁宾有限公司 2022-02-08 CN disclosed
WO-2021111322-A1 SUBSTITUTED NUCLEOSIDE ANALOGS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2021-06-10 WO disclosed