SCHEMBL7864376

SCHEMBL7864376

N=C(NO)c1ccc(C(N)=O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.39
PLAU P00749 3/20 0.39
LCK P06239 1/20 0.38
DGAT1 O75907 1/20 0.37
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
PLG P00747 1/20 0.36
KLKB1 P03952 1/20 0.36
TSHR P16473 1/20 0.36
MEP1B Q16820 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PARP15 Q460N3 2/20 0.34
PARP14 Q460N5 2/20 0.34
PARP10 Q53GL7 2/20 0.34
KMT2A Q03164 1/20 0.34
PARP16 Q8N5Y8 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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
SCHEMBL45138 0.81 PLAU (0.44) PARP1PLAULCKDGAT1TSHR
SCHEMBL11555300 0.80 LCK (0.48) PARP1LCKDGAT1TSHRALDH1A1
SCHEMBL30342277 0.80 LCK (0.48) PARP1LCKDGAT1TSHRALDH1A1
SCHEMBL27275446 0.77 KDM4E (0.48) PARP1PLAUTSHRALDH1A1KDM4E
SCHEMBL3284109 0.77 PARP10 (0.46) PARP1PLAUF2PRSS1PRSS2
SCHEMBL1725486 0.75 HSD17B10 (0.52) PARP1LCKTSHRALDH1A1PARP15
SCHEMBL5012139 0.72 ALDH1A1 (0.44) PARP1ALDH1A1KDM4E
SCHEMBL6597584 0.71 HSD17B10 (0.52) PARP1LCKTSHRALDH1A1PARP15
SCHEMBL28354753 0.71 PARP1 (0.50) PARP1LCKDGAT1TSHRALDH1A1
SCHEMBL1808887 0.71 LCK (0.44) PARP1LCKDGAT1F2PRSS1

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
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US claimed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US disclosed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US disclosed
CN-102083777-B Process for producing phenol EXXONMOBIL CHEM PATENTS INC 2014-11-12 CN disclosed
CN-102448915-B Transalkylation of polycyclohexylbenzenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-29 CN disclosed
CN-102448915-A Transalkylation of polycyclohexylbenzenes EXXONMOBIL CHEM PATENTS INC 2012-05-09 CN disclosed
CN-102177110-A Process for producing sec-butylbenzene EXXONMOBIL CHEM PATENTS INC 2011-09-07 CN disclosed
CN-102083777-A Process for producing phenol EXXONMOBIL CHEM PATENTS INC 2011-06-01 CN disclosed
US-6316639-B1 REACTING DICARBOXYLIC ACIDS OR ANHYDRIDES WITH A SALT OF HYDROXYL-AMINE IN SOLUTION SELECTED FROM HYDROXYLAMINE SULFATE, HYDROXYLAMINE NITRATE, HYDROXYLAMINE ACETATE, HYDROXYLAMINE TETRAFLUOROBORATE, HYDROXYLAMINE PHOSPHATE Consortium für elektrochemische Industrie GmbH (DE) 2001-11-13 US disclosed