SCHEMBL13378055

SCHEMBL13378055

O=c1oc2ccccc2n1I

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ USP2 O75604 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MIF P14174 1/20 0.50
▸ IDO1 P14902 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL18475321 0.75 HSD17B10 (0.39) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL28345389 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL3543457 0.74 TSHR (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL17772680 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL3447171 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL9410541 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL29455598 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL6137109 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL170140 0.74 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
Hydrochloric Acid SCHEMBL29709689 0.72 MAPK1 (0.55) MAPK1TSHRHPGDUSP2ALDH1A1

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
WO-2024107746-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES (US) 2024-05-23 — — WO disclosed
WO-2021124172-A1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2021-06-24 — — WO disclosed
US-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 — — US disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 — — EP disclosed
EP-1797073-B1 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 — — EP disclosed
WO-2007061696-A2 SPIROLACTAM BICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
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