SCHEMBL31469740

SCHEMBL31469740

Cn1c(=O)c(C(=O)OC(C)(C)C)c(OS(=O)(=O)C(F)(F)F)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
ALDH1A1 P00352 2/20 0.36
EGFR P00533 1/20 0.36
GSK3B P49841 2/20 0.36
OXER1 Q8TDS5 4/20 0.36
HIF1A Q16665 3/20 0.35
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL31469758 1.00 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL31469810 0.87 ALDH1A1 (0.52) ALDH1A1GSK3BOXER1MEN1KMT2A
SCHEMBL31469733 0.79 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL25111402 0.76 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL30099640 0.76 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL6086148 0.71 ALDH1A1 (0.52) ALDH1A1HIF1AMEN1KMT2AKDM4E
SCHEMBL5240374 0.69 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP2C19CYP2C9
SCHEMBL5235211 0.69 ALDH1A1 (0.43) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL14916391 0.69 FABP4 (0.43) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL21848316 0.69 TAS2R14 (0.38) ALDH1A1MEN1KMT2AKDM4E

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-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed