SCHEMBL5454047

SCHEMBL5454047

O=C(OCCC1CCCCC1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
THRB P10828 5/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MC4R P32245 1/20 0.40
MDM2 Q00987 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PAX8 Q06710 1/20 0.40
HPGD P15428 3/20 0.40
PPARG P37231 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VDR P11473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL10087750 0.88 ESR1 (0.46) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL12203453 0.84 THRB (0.42) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL5460685 0.84 THRB (0.46) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL5461904 0.83 THRB (0.45) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL5461899 0.83 THRB (0.45) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL12229202 0.83 THRB (0.41) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL12406562 0.82 THRB (0.41) KMT2ATHRBESR1MAPTALDH1A1
SCHEMBL14883167 0.82 LMNA (0.52) KMT2ATHRBMAPTALDH1A1LMNA
SCHEMBL14543738 0.79 THRB (0.57) KMT2ATHRBMAPTLMNAHTT
SCHEMBL14883131 0.78 KMT2A (0.39) KMT2ATHRBMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371826-C Sulfonate and photoresist composition SUMITOMO CHEMICAL CO (JP) 2008-02-27 CN disclosed
US-20070088131-A1 Sulfonate and resist composition TOISHI KOUJI 2007-04-19 US disclosed
US-6951706-B2 Sulfonate and resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-10-04 US disclosed
US-20040152009-A1 Sulfonate and resist composition SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-05 US disclosed
CN-1495526-A Sulfonate and photoresist composition 住友化学工业株式会社 2004-05-12 CN disclosed