SCHEMBL7123909

SCHEMBL7123909

COc1ccc(-c2[c]cc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR2 Q92731 1/20 0.39
ALOX5 P09917 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 1/20 0.38
APP P05067 1/20 0.38
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8591645 0.84 CA1 (0.48) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL28150942 0.82 ESR2 (0.48) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL27880945 0.80 CNR1 (0.45) GSK3BMAOB
SCHEMBL3947663 0.75 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2CA1
SCHEMBL28089684 0.75 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EGABRP
SCHEMBL358844 0.75 ESR1 (0.40) HPGDNPC1RAB9ASMN1; SMN2CA1
SCHEMBL1420029 0.74 ESR2 (0.59) NPC1RAB9ASMN1; SMN2ESR2APP
SCHEMBL28904555 0.74 APP (0.41) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL28208024 0.74 MEN1 (0.42) HPGDNPC1RAB9ASMN1; SMN2CA1
SCHEMBL358614 0.74 CYP1A2 (0.48) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
CN-108689890-B Method for synthesizing asymmetric azoxybenzene compound 温州大学 2020-11-17 CN disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed