SCHEMBL5308166

SCHEMBL5308166

CC1(C)C=Cc2c(ccc(Oc3ccccc3[N+](=O)[O-])c2Br)O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 5/20 0.39
HSPB1 P04792 1/20 0.38
PTPN1 P18031 1/20 0.36
TLR3 O15455 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ESRRA P11474 1/20 0.35
BCHE P06276 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL16865536 0.71 NPC1 (0.42) L3MBTL1TDP1HIF1APTPN1TLR3
SCHEMBL16694678 0.70 HIF1A (0.49) HIF1A
SCHEMBL16694371 0.70 PTPN1 (0.46) HIF1APTPN1NPC1RAB9ABCHE
SCHEMBL39472 0.69 HPGD (0.78) L3MBTL1HPGDALDH1A1TDP1HSPB1
SCHEMBL28056476 0.68 L3MBTL1 (0.81) L3MBTL1HPGDALDH1A1TDP1HSPB1
SCHEMBL5309484 0.68 NPC1 (0.40) L3MBTL1ALDH1A1TDP1HIF1APTPN1
SCHEMBL29084580 0.67 HPGD (0.64) L3MBTL1HPGDALDH1A1TDP1HSPB1
SCHEMBL12410975 0.66 ALDH1A1 (0.41) ALDH1A1TDP1HIF1APTPN1TLR3
SCHEMBL5308046 0.64 ALOX5 (0.44) HPGDALDH1A1TDP1HIF1APTPN1
SCHEMBL8107182 0.64 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1HSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed