SCHEMBL3499943

SCHEMBL3499943

O=C(Oc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ESR2 Q92731 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
SCHEMBL7978485 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL1653893 0.89 GPR35 (0.39) SMN1; SMN2MAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL27692446 0.84 MAPT (0.42) SMN1; SMN2MAPTCYP1A2ALDH1A1TDP1
SCHEMBL7982064 0.84 KDM4E (0.39) SMN1; SMN2MAPTALDH1A1TDP1RAB9A
SCHEMBL7134426 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL9027345 0.79 RAB9A (0.54) SMN1; SMN2MAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL11336164 0.79 MAPT (0.41) SMN1; SMN2MAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL12869701 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1KMT2AHTTELANE
SCHEMBL3835050 0.78 ELANE (0.43) SMN1; SMN2CYP1A2CYP2C9L3MBTL1RAB9A
SCHEMBL28081733 0.78 SCN4A (0.51) CYP1A2CYP2C9KMT2AELANEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541005-B2 Cysteine-tagged streptococcal protein G variant KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-09-24 — — US claimed
US-20100173430-A1 CYSTEINE-TAGGED STAPHYLOCOCCAL PROTEIN G VARIANT KOREAN RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-07-08 — — US claimed
EP-2046816-A1 CYSTEINE-TAGGED STAPHYLOCOCCAL PROTEIN G VARIANT Korea Research Institute of Bioscience and Biotechnology (KR) 2009-04-15 — — EP claimed
WO-2008016221-A1 CYSTEINE-TAGGED STAPHYLOCOCCAL PROTEIN G VARIANT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-07 — — WO claimed
US-8541005-B2 Cysteine-tagged streptococcal protein G variant KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-09-24 — — US disclosed
US-20100203653-A1 Protein G-Oligonucleotide Conjugate KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-08-12 — — US disclosed
US-20100173430-A1 CYSTEINE-TAGGED STAPHYLOCOCCAL PROTEIN G VARIANT KOREAN RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-07-08 — — US disclosed
EP-2046816-A1 CYSTEINE-TAGGED STAPHYLOCOCCAL PROTEIN G VARIANT Korea Research Institute of Bioscience and Biotechnology (KR) 2009-04-15 — — EP disclosed
WO-2008016221-A1 CYSTEINE-TAGGED STAPHYLOCOCCAL PROTEIN G VARIANT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-07 — — WO disclosed
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 — — US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 — — EP disclosed
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