SCHEMBL514558

SCHEMBL514558

NC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GSR P00390 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.39
ADAM17 P78536 1/20 0.39
MAPK1 P28482 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL27940887 1.00 DPP4 (0.46) DPP4F2LMNAALDH1A1GSR
Hydrochloric Acid SCHEMBL6045120 0.98 DPP4 (0.44) DPP4F2LMNAALDH1A1GSR
Nitric Acid SCHEMBL10789129 0.94 GSR (0.42) DPP4F2LMNAALDH1A1GSR
Sulfuric Acid SCHEMBL10790035 0.90 SRC (0.41) DPP4F2LMNAALDH1A1GSR
Formic Acid SCHEMBL28995625 0.90 GSR (0.40) DPP4F2LMNAALDH1A1GSR
SCHEMBL27619382 0.77
SCHEMBL11535923 0.77 ACHE (0.46) LMNAALDH1A1KDM4EMAPTNPSR1
SCHEMBL146897 0.75 LMNA (0.46) DPP4F2LMNAALDH1A1GSR
SCHEMBL6281430 0.75 LMNA (0.46) DPP4F2LMNAALDH1A1GSR
SCHEMBL8510918 0.75 LMNA (0.46) DPP4F2LMNAALDH1A1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066273-A A kind of single arylpyrimidines HIV-1 reverse transcriptase inhibitor of the ring containing triazole and the preparation method and application thereof 山东大学 2019-07-30 CN claimed
CN-109705095-A A kind of condensed ring 1,4-benzoquinone class CDC25 protein phosphatase inhibitor of the ring containing triazole and its preparation method and application 山东大学 2019-05-03 CN claimed
EP-2571844-B1 PROCESS FOR THE PREPARATION OF TULUENEDIAMINE BY HYDROGENATION OF DINITROTOLUENE BASF SE (DE) 2017-10-04 EP claimed
EP-2649041-B1 METHOD FOR PRODUCING AROMATIC AMINES BASF SE (DE) 2016-06-08 EP claimed
US-8981155-B2 Process for preparing aromatic amines BASF SE (DE) 2015-03-17 US claimed
CN-103313962-B Method for producing aromatic amines BASF SE 2014-12-24 CN claimed
CN-102892747-B Process for preparing toluenediamine by hydrogenation of dinitrotoluene BASF SE 2014-05-21 CN claimed
US-8609899-B2 Process for preparing toluenediamine by hydrogenation of dinitrotoluene BASF SE (DE) 2013-12-17 US claimed
EP-1866070-B1 METHOD AND APPARATUS FOR PRODUCING AROMATIC AMINES OR ALIPHATIC AMINO ALCOHOLS BASF SE (DE) 2013-12-11 EP claimed
EP-2649041-A1 METHOD FOR PRODUCING AROMATIC AMINES BASF SE (DE) 2013-10-16 EP claimed
CN-86104807-A Carbonylation method 1987-02-25 CN claimed
EP-0157828-A4 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1987-01-22 EP claimed
WO-1986005179-A1 CARBONYLATION PROCESS CATALYTICA ASSOCIATES (US) 1986-09-12 WO claimed
US-4603216-A RUTHENIUM-PHOSPHINE CATALYST CATALYTICA ASSOCIATES (US) 1986-07-29 US claimed
US-4600793-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-07-15 US claimed
EP-0157828-A1 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1985-10-16 EP claimed
WO-1985001285-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1985-03-28 WO claimed
US-4360480-A Aromatic diamino phosphoramides, thiophosphoramides and phosphoramidates A.T. RAMOT PLASTICS LTD. (IL) 1982-11-23 US claimed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP claimed
US-3944553-A Bis quinoline peri acids TRW INC. (US) 1976-03-16 US claimed