SCHEMBL29333332

SCHEMBL29333332

CC(=O)OCc1ncc(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
NOTUM Q6P988 3/20 0.39
POLQ O75417 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.35
RET P07949 1/20 0.34
PRKX P51817 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ASPH Q12797 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
SCHEMBL30994666 1.00 SSTR4 (0.39) SSTR4NOTUMPOLQAGBL2RET
SCHEMBL31691297 0.81 ALDH1A1 (0.35) AGBL2ALDH1A1CA2
SCHEMBL5734033 0.79 AGBL2 (0.37) AGBL2MEN1KMT2AKDM4ENPSR1
SCHEMBL2067833 0.78 NOTUM (0.37) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL29728392 0.77 SSTR4 (0.34) SSTR4POLQAGBL2S1PR4
SCHEMBL24534080 0.77 SSTR4 (0.35) SSTR4KMT2AS1PR4
SCHEMBL2067188 0.77 NPC1 (0.37) MEN1KMT2ANPSR1ALDH1A1CYP1A2
SCHEMBL29333320 0.75 L3MBTL1 (0.41) KMT2AALDH1A1CA2
SCHEMBL1577283 0.75 CYP11B1 (0.35) SSTR4NOTUMPOLQAGBL2MEN1
SCHEMBL3953710 0.72 SSTR4 (0.33) SSTR4NOTUMPOLQAGBL2MEN1

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