SCHEMBL1804931

SCHEMBL1804931

CCCC(F)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HIF1A Q16665 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35

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
SCHEMBL17711573 0.85 HDAC8 (0.43) TDP1ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL29460268 0.83 TDP1 (0.50) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL1454745 0.80 TDP1 (0.43) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL14541275 0.78 TDP1 (0.50) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL19265914 0.77 TDP1 (0.54) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL1454381 0.77 TDP1 (0.54) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL5195722 0.76 TDP1 (0.43) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL9572748 0.75 TDP1 (0.46) TDP1ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL4167974 0.75 TDP1 (0.46) TDP1ALDH1A1TSHRCYP3A4ALOX15
Hydrochloric Acid SCHEMBL17710423 0.75 TDP1 (0.52) TDP1ALDH1A1TSHRCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020124206-A1 METAL COMPLEXES, METHODS OF MAKING THE SAME, AND USES THEREOF UNIVERSITY OF MANITOBA (CA) 2020-06-25 — — WO disclosed
EP-3328870-A1 NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES Versalis S.p.A. (IT) 2018-06-06 — — EP disclosed
EP-3194409-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES Versalis S.p.A. (IT) 2017-07-26 — — EP disclosed
WO-2017017203-A1 NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2017-02-02 — — WO disclosed
WO-2016042014-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2016-03-24 — — WO disclosed
EP-2496579-A1 1-SUBSTITUTED 2-AZABICYCLO [3.1.1]HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS Universiteit Gent (BE) 2012-09-12 — — EP disclosed
EP-2376593-A2 PHOTOACTIVE COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E. I. du Pont de Nemours and Company (US) 2011-10-19 — — EP disclosed
WO-2011054885-A1 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS UNIVERSITEIT GENT (BE) 2011-05-12 — — WO disclosed
WO-2011055142-A2 1,4-QUINONES AND THEIR SULFUR ANALOGUES USEFUL AS LIGANDS OF N-ACETYLTRANSFERASES ISIS INNOVATION LIMITED (GB) 2011-05-12 — — WO disclosed
WO-2010068865-A2 PHOTOACTIVE COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-17 — — WO disclosed
EP-1773895-A2 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION E.I.Du pont de nemours and company (US) 2007-04-18 — — EP disclosed
WO-2006010065-A2 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-26 — — WO disclosed
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