SCHEMBL29972661

SCHEMBL29972661

O=C(OCc1ccccc1)N1Cc2cc(Br)cnc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.55
▸ TMEM97 Q5BJF2 10/20 0.49
▸ SIGMAR1 Q99720 10/20 0.49
▸ HRH1 P35367 4/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.49
▸ HRH2 P25021 3/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ ADRA2C P18825 2/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR1E P28566 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ DHFR P00374 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL26607719 1.00 ABHD6 (0.55) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL16935150 0.90 DHFR (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1252035 0.82 NPC1 (0.46) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL26607727 0.82 TMEM97 (0.48) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL7005876 0.81 TMEM97 (0.63) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL31129893 0.81 TMEM97 (0.63) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL29909711 0.81 NAMPT (0.49) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL22643841 0.80 SMN1; SMN2 (0.51) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL26092475 0.78 MEN1 (0.55) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324086 0.77 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511119-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2025-02-26 — — EP disclosed
WO-2024032782-A1 VACCINE ADJUVANTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO.LTD. (CN) 2024-02-15 — — WO disclosed
EP-4313946-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-02-07 — — EP disclosed
WO-2023205251-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2023-10-26 — — WO disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
WO-2022199677-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-09-29 — — WO disclosed
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