SCHEMBL10846469

SCHEMBL10846469

CN(C=O)[C@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@@H]1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KCNE1 P15382 8/20 0.35
▸ KCNQ1 P51787 8/20 0.35
▸ ABCC9 O60706 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ HSPA1A P0DMV8 1/20 0.34
▸ HSPA8 P11142 1/20 0.34
▸ CD44 P16070 1/20 0.34
▸ MSN P26038 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ EZH2 Q15910 1/20 0.34

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
SCHEMBL10846477 1.00 AKR1B1 (0.36) AKR1B1ALDH1A1KCNE1KCNQ1ABCC9
SCHEMBL10848293 0.82 KDM4E (0.38) KCNE1KCNQ1KDM4E
SCHEMBL10848280 0.82 KDM4E (0.38) KCNE1KCNQ1KDM4E
SCHEMBL10849342 0.80 KDM4E (0.56) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL10846473 0.80 KCNE1 (0.34) ALDH1A1KCNE1KCNQ1ABCC9MEN1
SCHEMBL11085099 0.80 KCNE1 (0.34) ALDH1A1KCNE1KCNQ1ABCC9MEN1
SCHEMBL10849336 0.80 KDM4E (0.56) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL10848203 0.80 AKR1B1 (0.38) AKR1B1ALDH1A1ABCC9MEN1KMT2A
SCHEMBL10848193 0.80 AKR1B1 (0.38) AKR1B1ALDH1A1ABCC9MEN1KMT2A
Hydrochloric Acid SCHEMBL11611531 0.75 KCNE1 (0.48) KCNE1KCNQ1ABCC9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4629734-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1986-12-16 — — US claimed
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