SCHEMBL24313729

SCHEMBL24313729

O=C(O)c1cc2c(OC(F)F)cc(C3CC3)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
PIM1 P11309 4/20 0.35
CSNK2A1 P68400 4/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A3 Q8NEV1 3/20 0.35
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
TBK1 Q9UHD2 3/20 0.34
IKBKE Q14164 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
AKR1B1 P15121 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL31723096 0.90 PDE4D (0.34) PDE4APDE4BPDE4CPDE4DTBK1
SCHEMBL24313906 0.80 PTGER4 (0.45) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL24313907 0.79 PDE2A (0.34) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL24314181 0.78 MCL1 (0.41) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL29588225 0.76 PTGER4 (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL24313769 0.76 PTGER4 (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL24313771 0.75 PDE2A (0.32) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL24313926 0.75 MCL1 (0.42) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL29587761 0.75 MCL1 (0.42) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24313929 0.72 MCL1 (0.38) MCL1PIM1CSNK2A1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229045-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute Inc. (US) 2023-08-23 EP disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed