SCHEMBL27462114

SCHEMBL27462114

NN=O.O=[N+]([O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ CA1 P00915 4/20 0.62
▸ CA2 P00918 4/20 0.62
▸ CA9 Q16790 3/20 0.62
▸ CA12 O43570 2/20 0.62
▸ CA14 Q9ULX7 2/20 0.62
▸ CA3 P07451 1/20 0.62
▸ CA4 P22748 1/20 0.62
▸ CA6 P23280 1/20 0.62
▸ CA5A P35218 1/20 0.62
▸ CA7 P43166 1/20 0.62
▸ CA13 Q8N1Q1 1/20 0.62
▸ CA5B Q9Y2D0 1/20 0.62
▸ ACHE P22303 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.56
▸ PLAU P00749 1/20 0.56
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55

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
Hydrazine SCHEMBL27401571 0.85 ALDH1A1 (0.74) ALDH1A1CA1CA2CA9CA12
SCHEMBL22567 0.85 ALDH1A1 (0.72) ALDH1A1CA1CA2CA9CA12
SCHEMBL27909482 0.85 ALDH1A1 (0.72) ALDH1A1CA1CA2CA9CA12
Nitrous Acid SCHEMBL27463924 0.83 CES1 (0.58) ALDH1A1CA1CA2ACHEHSD17B10
Water SCHEMBL28241270 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA9CA12
Ammonia Solution, Strong SCHEMBL27511010 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA9CA12
SCHEMBL27844585 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA9CA12
Water SCHEMBL27300423 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA9CA12
Hydrogen Sulfide SCHEMBL27319417 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA9CA12
SCHEMBL27986433 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103789182-A Kiwi fruit wine composite clarifying agent as well as preparation method and application method thereof SICHUAN EDON AGRICULTURAL TECHNOLOGY DEV CO LTD 2014-05-14 — — CN disclosed
CN-1142272-C Rcombinant adenovirus and its use in preventing and treating fibrous diseases �й������ž�����ҽѧ��ѧԺ�ٻ��� 2004-03-17 — — CN disclosed
CN-1307102-A Rcombinant adenovirus and its use in preventing and treating fibrous diseases BAIHUAN BIOLOG MEDICINE RES CT (CN) 2001-08-08 — — CN disclosed
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