SCHEMBL29439671

SCHEMBL29439671

[O-][n+]1cccc2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL540266 1.00 TSHR (0.39) TSHRCA12CA1CA2CA7
SCHEMBL2881930 0.96 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL2547218 0.94 TSHR (0.42) TSHRCYP2A6MAOAMAOBLMNA
SCHEMBL1843063 0.74 TSHR (0.39) TSHRCYP2A6MAOAMAOBMAPT
SCHEMBL12462526 0.74 TSHR (0.39) TSHRCYP2A6MAOAMAOBMAPT
SCHEMBL13403536 0.74 TSHR (0.39) TSHRCYP2A6MAOAMAOBLMNA
SCHEMBL31586805 0.72 KDM4E (0.31) LMNAHTTMAPT
SCHEMBL31587156 0.72 KDM4E (0.31) LMNAHTTMAPT
SCHEMBL23327541 0.72 CA12 (0.33) CA12CA1CA2CA7CA14
Iodide SCHEMBL1838905 0.72 TSHR (0.37) TSHRCYP2A6MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP claimed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO claimed
CN-114380798-A Salts of Pim kinase inhibitors 因赛特公司 2022-04-22 CN claimed
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
CN-108349938-B Salts of Pim kinase inhibitors 因赛特公司 2024-11-29 CN disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
CN-114380798-B Salts of Pim kinase inhibitors 因赛特公司 2024-10-15 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
CN-114380798-A Salts of Pim kinase inhibitors 因赛特公司 2022-04-22 CN disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
CN-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed