SCHEMBL30709752

SCHEMBL30709752

Nc1cc(C(F)(F)F)cc(Br)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
PTPN5 P54829 2/20 0.40
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL2429802 1.00 ALDH1A1 (0.42) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL24118131 0.84 PTPN5 (0.47) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL414157 0.78 ALDH1A1 (0.53) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL29746207 0.78 ALDH1A1 (0.53) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL25798292 0.77 GABRB3 (0.36) ALDH1A1HPGDHSD17B10TSHRGABRB3
SCHEMBL18299676 0.77 PTPN5 (0.41) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL9217763 0.77 ALDH1A1 (0.43) ALDH1A1PTPN5KDM4EPKMHPGD
Hydrochloric Acid SCHEMBL8947519 0.77 ALDH1A1 (0.52) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL23899710 0.75 CHEK1 (0.37) ALDH1A1HPGDHSD17B10TSHRMEN1
SCHEMBL14054165 0.75 GABRB3 (0.38) ALDH1A1KDM4EHPGDTSHRGABRP

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-4526309-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2025-03-26 EP disclosed
CN-119365467-A Aza-tetraepoxy aza compounds and uses thereof 基因泰克公司 2025-01-24 CN disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 WO disclosed