SCHEMBL5526504

SCHEMBL5526504

O=C(OCO)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
MGLL Q99685 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL409598 0.88 HTR2A (0.59) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL1133822 0.87 HTR2A (0.56) HTR2ABCL9CTNNB1GAAKMT2A
Ethylene Glycol SCHEMBL5476146 0.86 BCL9 (0.58) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL26374 0.85 GAA (0.65) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL25764 0.85 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL24606 0.85 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL763025 0.85 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL278663 0.85 BCL9 (0.62) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL13069276 0.85 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL1421471 0.85 HTR2A (0.57) HTR2ABCL9CTNNB1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
US-20070082019-A1 Photocrosslinked hydrogel surface coatings CIPHERGEN BIOSYSTEMS INC. 2007-04-12 US disclosed
US-20060292701-A1 Photocrosslinked hydrogel blend surface coatings CIPHERGEN BIOSYSTEMS INC. 2006-12-28 US disclosed
US-20060252159-A1 Photocrosslinked hydrogel blend surface coatings CIPHERGEN BIOSYSTEMS INC. 2006-11-09 US disclosed
EP-1680664-A2 REACTIVE POLYURETHANE-BASED POLAMERS Ciphergen Biosystems, Inc. (US) 2006-07-19 EP disclosed
US-7045366-B2 Photocrosslinked hydrogel blend surface coatings CIPHERGEN BIOSYSTEMS, INC. (US) 2006-05-16 US disclosed
US-20050112650-A1 Reactive polyurethane-based polymers CIPHERGEN BIOSYSTEMS, INC. (US) 2005-05-26 US disclosed
WO-2005039724-A2 REACTIVE POLYURETHANE-BASED POLAMERS CIPHERGEN BIOSYSTEM, INC. (US) 2005-05-06 WO disclosed
US-20050059086-A1 Photocrosslinked hydrogel blend surface coatings CIPHERGEN BIOSYSTEMS INC. 2005-03-17 US disclosed
WO-2004076511-A2 PHOTOCROSSLINKED HYDROGEL SURFACE COATINGS CIPHERGEN BIOSYSTEMS, INC. (US) 2004-09-10 WO disclosed