SCHEMBL914860

SCHEMBL914860

NC1=CC=C(c2ccc(N)cc2)CC1([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA9 Q16790 3/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA14 Q9ULX7 1/20 0.31
CA4 P22748 1/20 0.30

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
SCHEMBL41543 0.72 CYP3A4 (0.39) ALDH1A1TP53CYP3A4TDP1MEN1
SCHEMBL7029555 0.71 SMN1; SMN2 (0.34)
Hydrochloric Acid SCHEMBL11043882 0.71 TDP1 (0.31) ALDH1A1TP53CYP3A4TDP1MAPT
Hydrochloric Acid SCHEMBL3286109 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1
SCHEMBL844893 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1
SCHEMBL2697748 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1
Water SCHEMBL28537381 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1
SCHEMBL4613513 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1
Hydrochloric Acid SCHEMBL71899 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1
SCHEMBL368051 0.70 CYP3A4 (0.37) ALDH1A1TP53CYP3A4TDP1MEN1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648815-B2 Solvent solubility; adhesive; heat resistance; dielectric film pattern PI R&D CO., LTD. (JP) 2010-01-19 US claimed
US-20200263048-A1 INKJET INK COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2020-08-20 US disclosed
US-20200224050-A1 INKJET INK COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2020-07-16 US disclosed
EP-3658634-A1 INKJET INK COMPOSITIONS Hewlett-Packard Development Company, L.P. (US) 2020-06-03 EP disclosed
CN-105849144-B Polymer composition 帝斯曼知识产权资产管理有限公司 2019-04-05 CN disclosed
US-10167408-B2 Aqueous composition with improved elongation at break DSM IP ASSETS B.V. (NL) 2019-01-01 US disclosed
CN-106414630-B The water-based composition of elongation at break with raising 帝斯曼知识产权资产管理有限公司 2018-12-28 CN disclosed
EP-3134483-B1 AQUEOUS COMPOSITION WITH IMPROVED ELONGATION AT BREAK DSM IP ASSETS BV (NL) 2018-08-29 EP disclosed
US-9994730-B2 Polymeric composition DSM IP ASSETS B.V. (NL) 2018-06-12 US disclosed
EP-3083736-B1 POLYMERIC COMPOSITION DSM IP ASSETS BV (NL) 2018-03-07 EP disclosed
WO-2000063180-A1 BIS-BENZAZOLES AND THEIR USE AS ANTINEOPLASTIC AGENTS THE UNIVERSITY OF READING (GB) 2000-10-26 WO disclosed
EP-1028941-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-08-23 EP disclosed
EP-1015507-A1 AQUEOUS POLYMER DISPERSIONS Avecia B.V. (NL) 2000-07-05 EP disclosed
WO-1999045050-A1 WATER SOLUBLE FILMS AVECIA LIMITED (GB) 1999-09-10 WO disclosed
WO-1999024394-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1999-05-20 WO disclosed
WO-1999016805-A1 AQUEOUS POLYMER DISPERSIONS AVECIA B.V. (NL) 1999-04-08 WO disclosed
EP-0643734-B1 AQUEOUS POLYURETHANE DISPERSIONS ZENECA RESINS BV (NL) 1998-07-15 EP disclosed
EP-0823894-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-02-18 EP disclosed
EP-0643734-A1 AQUEOUS POLYURETHANE DISPERSIONS ZENECA RESINS BV (NL) 1995-03-22 EP disclosed
WO-1993024551-A1 AQUEOUS POLYURETHANE DISPERSIONS ZENECA RESINS BV (NL) 1993-12-09 WO disclosed