SCHEMBL631957

SCHEMBL631957

O=[N+]([O-])c1c[c]c2[nH]c3ccc([N+](=O)[O-])cc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.55
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA2 P47869 1/20 0.52
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
KIF11 P52732 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL20580906 0.86 CTSV (0.54) PARP1CA12CA9MAPTMEN1
SCHEMBL155013 0.82 GABRA1 (0.70) PARP1CA12CA9MAPTMEN1
SCHEMBL29540314 0.82 GABRA1 (0.70) PARP1CA12CA9MAPTMEN1
SCHEMBL28933191 0.76 GABRA1 (0.55) PARP1CA12CA9MAPTMEN1
SCHEMBL30272741 0.75 CTSV (0.79) PARP1CA12CA9MAPTMEN1
SCHEMBL30272742 0.75 CTSV (0.79) PARP1CA12CA9MAPTMEN1
SCHEMBL151534 0.75 CTSV (0.79) PARP1CA12CA9MAPTMEN1
SCHEMBL30272743 0.75 CTSV (0.79) PARP1CA12CA9MAPTMEN1
SCHEMBL12722533 0.73 MAPT (0.59) PARP1CA12CA9MAPTMEN1
SCHEMBL17396637 0.73 GABRA1 (0.59) PARP1CA12CA9MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026983-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-01-26 US claimed
US-20210102132-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 US claimed
US-10400186-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-03 US claimed
US-20170029730-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-02 US claimed
US-9458399-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-10-04 US claimed
EP-2419496-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL California Institute of Technology (US) 2012-02-22 EP claimed
US-20100287822-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-11-18 US claimed
WO-2010121270-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-21 WO claimed
US-20230026983-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-01-26 US disclosed
US-20210102132-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 US disclosed
US-10400186-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-03 US disclosed
EP-2419496-B1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INST OF TECHN (US) 2019-07-31 EP disclosed
US-20170029730-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-02 US disclosed
US-9458399-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-10-04 US disclosed
EP-2419496-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL California Institute of Technology (US) 2012-02-22 EP disclosed
US-20100287822-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-11-18 US disclosed
WO-2010121270-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-21 WO disclosed