SCHEMBL29333360

SCHEMBL29333360

COC(=O)c1ccc(Br)cc1OC1CC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
SLC6A3 Q01959 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FAAH O00519 2/20 0.38
CNR2 P34972 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL29333364 1.00 NR4A2 (0.41) NR4A2SLC6A3L3MBTL1HSD17B10GAA
SCHEMBL20563399 0.80 NR4A2 (0.48) NR4A2SLC6A3L3MBTL1HSD17B10GAA
SCHEMBL257244 0.79 NR4A2 (0.51) NR4A2SLC6A3L3MBTL1HSD17B10GAA
SCHEMBL29827082 0.79 NR4A2 (0.51) NR4A2SLC6A3L3MBTL1HSD17B10GAA
SCHEMBL26984344 0.78 PDE5A (0.47) NR4A2SLC6A3POLB
SCHEMBL31156118 0.77 NR4A2 (0.45) NR4A2SLC6A3L3MBTL1HSD17B10HTT
SCHEMBL5236111 0.76 KMT2A (0.46) NR4A2SLC6A3L3MBTL1HSD17B10GAA
SCHEMBL31275511 0.75 HDAC11 (0.44) HSD17B10ALDH1A1FAAHCNR2MAPT
SCHEMBL8512059 0.74 NR4A2 (0.47) NR4A2SLC6A3L3MBTL1HSD17B10GAA
SCHEMBL516923 0.73 ALPL (0.47) NR4A2SLC6A3L3MBTL1HSD17B10GAA

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-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed