SCHEMBL6297471

SCHEMBL6297471

CCCCCC(CCl)C(OC(c1ccc([N+](=O)[O-])cc1)C(CCl)CCCCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ASAH2 Q9NR71 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MGLL Q99685 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36

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
SCHEMBL6136683 0.85 MAPT (0.42) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL8727031 0.76 MGLL (0.46) L3MBTL1MAPTMEN1KMT2AASAH2
SCHEMBL9165350 0.76 MGLL (0.46) L3MBTL1MAPTMEN1KMT2AASAH2
SCHEMBL11308398 0.76 MGLL (0.46) L3MBTL1MAPTMEN1KMT2AASAH2
SCHEMBL2634072 0.75 ALDH1A1 (0.47) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL10607510 0.74 MAPT (0.47) L3MBTL1MAPTLMNAASAH2ALDH1A1
SCHEMBL6683966 0.74 MAPT (0.47) L3MBTL1MAPTLMNAASAH2ALDH1A1
SCHEMBL17294442 0.74 CYP19A1 (0.51) L3MBTL1MAPTMEN1KMT2AASAH2
SCHEMBL6683050 0.73 ASAH2 (0.47) L3MBTL1MAPTMEN1KMT2AASAH2
SCHEMBL10607585 0.73 ASAH2 (0.47) L3MBTL1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 — — US disclosed
US-6559303-B1 Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical ISIS PHARMACEUTICALS, INC. 2003-05-06 — — US disclosed
US-6329523-B1 FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS ISIS PHARMACEUTICALS, INC. 2001-12-11 — — US disclosed
US-6207826-B1 Macrocyclic compounds having nitrogen-containing linkages ISIS PHARMACEUTICALS, INC. 2001-03-27 — — US disclosed
US-6197965-B1 POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2001-03-06 — — US disclosed
EP-0817787-A4 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2000-09-13 — — EP disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 — — WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 — — EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 — — WO disclosed
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