SCHEMBL3760266

SCHEMBL3760266

COC(=O)C1=CNC=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.64
▸ KDM4E B2RXH2 6/20 0.64
▸ HPGD P15428 6/20 0.64
▸ ADORA3 P0DMS8 6/20 0.64
▸ MAPT P10636 6/20 0.64
▸ HSD17B10 Q99714 5/20 0.64
▸ CACNA1C Q13936 5/20 0.64
▸ CYP1A2 P05177 5/20 0.64
▸ TSHR P16473 4/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ CYP2C9 P11712 4/20 0.64
▸ CYP2C19 P33261 4/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ NFKB1 P19838 3/20 0.64
▸ ABCC4 O15439 2/20 0.64
▸ CACNA1F O60840 2/20 0.64
▸ ABCB11 O95342 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ ADORA2A P29274 2/20 0.64
▸ ADORA1 P30542 2/20 0.64

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
SCHEMBL2360532 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL30186935 0.83 KDM4E (0.64) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL1720223 0.83 KDM4E (0.64) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL1719660 0.81 CACNA1C (0.58) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL13859625 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL29446574 0.80 KDM4E (0.60) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL1357406 0.80 KDM4E (0.60) ALDH1A1KDM4EHPGDADORA3MAPT
Nifedipine SCHEMBL1172946 0.78 ADORA3 (1.00) ALDH1A1KDM4EHPGDADORA3MAPT
Nifedipine SCHEMBL29349595 0.78 ADORA3 (1.00) ALDH1A1KDM4EHPGDADORA3MAPT
Nifedipine SCHEMBL3968 0.78 ADORA3 (1.00) ALDH1A1KDM4EHPGDADORA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728705-B2 Negative photosensitive material, photosensitive board employing the negative photosensitive material, and negative pattern forming method NITTO DENKO CORPORATION (JP) 2014-05-20 — — US disclosed
US-20130118788-A1 POLYIMIDE PRECURSOR COMPOSITION, AND WIRING CIRCUIT BOARD EMPLOYING THE COMPOSITION NITTO DENKO CORPORATION (JP) 2013-05-16 — — US disclosed
US-20100304298-A1 NEGATIVE PHOTOSENSITIVE MATERIAL, PHOTOSENSITIVE BOARD EMPLOYING THE NEGATIVE PHOTOSENSITIVE MATERIAL, AND NEGATIVE PATTERN FORMING METHOD NITTO DENKO CORPORATION (JP) 2010-12-02 — — US disclosed
EP-0197488-A2 1,4-Dihydropyiridine derivative, a process for preparing the same, a pharmaceutical composition as well as the use thereof Eisai Co., Ltd. (JP) 1986-10-15 — — EP disclosed
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