SCHEMBL11580960

SCHEMBL11580960

N=C(NC(N)=O)Nc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.53
▸ MAPT P10636 7/20 0.50
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CXCR1 P25024 1/20 0.48
▸ CXCR2 P25025 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.46
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ PKM P14618 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43

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
SCHEMBL11878500 0.84 GAA (0.56) GAAMAPTMEN1KMT2ATDP1
SCHEMBL11579736 0.84 MAPT (0.53) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL11579516 0.84 MAPT (0.50) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL11263800 0.84 HTT (0.59) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL11580880 0.84 F10 (0.43) MAPTMEN1KMT2ATDP1CXCR1
SCHEMBL11252215 0.83 RORC (0.46) MAPTKMT2AALDH1A1PKMRAB9A
SCHEMBL11052550 0.81 GAA (0.51) GAAMAPTMEN1KMT2ATDP1
SCHEMBL4107529 0.81 HTT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11093549 0.81 PKM (0.66) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL11580082 0.81 ALDH1A1 (0.51) GAAMAPTMEN1KMT2AALDH1A1

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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