SCHEMBL11579516

SCHEMBL11579516

N=C(NC(N)=O)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ KMT2A Q03164 9/20 0.50
▸ MEN1 O00255 8/20 0.50
▸ HTT P42858 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPK1 P28482 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ RORC P51449 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL11880298 0.84 MAPT (0.52) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL11580960 0.84 GAA (0.53) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11579736 0.84 MAPT (0.53) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL11580880 0.84 F10 (0.43) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL11263800 0.84 HTT (0.59) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL11580082 0.83 ALDH1A1 (0.51) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL11252215 0.83 RORC (0.46) MAPTKMT2AHTTALDH1A1RAB9A
SCHEMBL11050707 0.82 KMT2A (0.52) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL4107529 0.81 HTT (0.56) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL11093549 0.81 PKM (0.66) MAPTKMT2AMEN1HTTALDH1A1

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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 — — US disclosed
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