Sugi Predict

Sugi Predict / Compounds / Pyridine

Pyridine

Pyridine

SCHEMBL27907784

O=c1ncc2ccccc2[nH]1.c1ccncc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ PDE3B Q13370 1/20 0.40

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
Pyrazine SCHEMBL28109443 0.93 CA12 (0.42) CYP19A1KDM4EHPGDHSD17B10ALDH1A1
Benzene SCHEMBL29025391 0.91 CA12 (0.47) KDM4EHPGDHSD17B10ALDH1A1TSHR
Indole SCHEMBL28850399 0.90 CA1 (0.47) CYP19A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL29371690 0.89 CA12 (0.48) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL28015378 0.89 CA12 (0.48) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL10417 0.89 CA12 (0.48) KDM4EHPGDHSD17B10ALDH1A1TSHR
Bromide SCHEMBL5616601 0.87 CA12 (0.47) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL29570997 0.87 CA12 (0.47) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL21358065 0.87 CA12 (0.47) KDM4EHPGDHSD17B10ALDH1A1TSHR
Phosphine SCHEMBL29179322 0.87 CA12 (0.47) KDM4EHPGDHSD17B10ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113583031-B Endoplasmic reticulum positioning imaging/photoinduced iron death dual-function probe 江西师范大学 2022-07-26 — — CN claimed
CN-113583031-A Endoplasmic reticulum positioning imaging/photoinduced iron death dual-function probe 江西师范大学 2021-11-02 — — CN claimed
CN-113583031-B Endoplasmic reticulum positioning imaging/photoinduced iron death dual-function probe 江西师范大学 2022-07-26 — — CN disclosed
CN-113583031-B Endoplasmic reticulum positioning imaging/photoinduced iron death dual-function probe 江西师范大学 2022-07-26 — — CN disclosed
CN-110252351-B Application of copper catalyst in catalyzing reaction of 1-pyridyl indole compound and tert-butyl nitrite 苏州大学 2021-12-10 — — CN disclosed
CN-113583031-A Endoplasmic reticulum positioning imaging/photoinduced iron death dual-function probe 江西师范大学 2021-11-02 — — CN disclosed
CN-113583031-A Endoplasmic reticulum positioning imaging/photoinduced iron death dual-function probe 江西师范大学 2021-11-02 — — CN disclosed
CN-103172636-B Pyridine-quinazolinone compound and preparation method thereof UNIV SHANGHAI 2015-05-27 — — CN disclosed
CN-103172636-B Pyridine-quinazolinone compound and preparation method thereof UNIV SHANGHAI 2015-05-27 — — CN disclosed
CN-103172636-A Pyridine-quinazolinone compound and preparation method thereof UNIV SHANGHAI 2013-06-26 — — CN disclosed
CN-103172636-A Pyridine-quinazolinone compound and preparation method thereof UNIV SHANGHAI 2013-06-26 — — CN disclosed