SCHEMBL5546444

SCHEMBL5546444

O=C1c2cccc([N+](=O)[O-])c2CN1C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.46
▸ HTR2B P41595 10/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ HTR2C P28335 9/20 0.43
▸ HTR2A P28223 6/20 0.43
▸ CDK4 P11802 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRBN Q96SW2 2/20 0.37
▸ DDB1 Q16531 1/20 0.37

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
SCHEMBL30185022 1.00 PARP1 (0.46) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30698072 0.81 HTR2B (0.62) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30376302 0.81 HTR2B (0.62) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30659847 0.81 PARP1 (0.49) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL660471 0.81 HTR2B (0.62) PARP1HTR2BHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL28593152 0.80 HTR2B (0.60) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30459956 0.78 HTR2B (0.50) PARP1HTR2BHTR3AHTR3EHTR3B
SCHEMBL30352321 0.78 PARP1 (0.47) PARP1HTR2BHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL31259770 0.77 TMEM97 (0.67) PARP1HTR2BHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL31259784 0.77 TMEM97 (0.67) PARP1HTR2BHTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196800-B Method for preparing lenalidomide 欣凯医药化工中间体(上海)有限公司 2022-10-11 — — CN disclosed
EP-2817300-A1 SOLID FORMS OF 3-(4-NITRO-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE Celgene Corporation (US) 2014-12-31 — — EP disclosed
WO-2013126394-A1 SOLID FORMS OF 3-(4-NITRO-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE CELGENE CORPORATION (US) 2013-08-29 — — WO disclosed
EP-1797068-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLINES CELGENE CORPORATION (US) 2007-06-20 — — EP disclosed
WO-2006028964-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLINES CELGENE CORPORATION (US) 2006-03-16 — — WO disclosed
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