SCHEMBL7692771

SCHEMBL7692771

C=[N+](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 6/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL13042644 0.73 — —
SCHEMBL10824676 0.73 — —
SCHEMBL451030 0.69 ALDH1A1 (0.47) ALDH1A1LMNATDP1HPGDHSD17B10
SCHEMBL15970600 0.65 ALDH1A1 (0.41) ALDH1A1LMNATDP1HPGDHSD17B10
SCHEMBL1796549 0.64 ALDH1A1 (0.43) ALDH1A1LMNATDP1HPGDHSD17B10
SCHEMBL3108934 0.64 — —
SCHEMBL1925151 0.64 — —
SCHEMBL49458 0.64 — —
SCHEMBL1899890 0.64 ALDH1A1 (0.43) ALDH1A1LMNATDP1HPGDHSD17B10
SCHEMBL786960 0.64 ALDH1A1 (0.50) ALDH1A1LMNATDP1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5711927-A Method for the purification and separation of fullerenes ATWOOD JERRY L (US) 1998-01-27 — — US claimed
WO-1995025067-A1 METHOD FOR THE SEPARATION AND PURIFICATION OF FULLERENES ATWOOD JERRY L (US) 1995-09-21 — — WO claimed
US-7439535-B2 Process for exchanging functional groups by halogen-metal exchange reaction BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 — — US disclosed
US-6334949-B1 CONTACTING WITH CALIXARENE COMPLEXING AGENT AND RECOVERING CARBONYL SULFIDE-FREE STREAM THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF COMMERCE 2002-01-01 — — US disclosed
WO-2000008117-A1 PROCESS FOR THE REMOVAL OF CARBONYL SULFIDE FROM LIQUID PETROLEUM GAS UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 2000-02-17 — — WO disclosed
US-5711927-A Method for the purification and separation of fullerenes ATWOOD JERRY L (US) 1998-01-27 — — US disclosed
WO-1995025067-A1 METHOD FOR THE SEPARATION AND PURIFICATION OF FULLERENES ATWOOD JERRY L (US) 1995-09-21 — — WO disclosed
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