SCHEMBL9980879

SCHEMBL9980879

O=C(O)c1nn(Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.52
P2RX4 Q99571 1/20 0.51
SLC16A3 O15427 1/20 0.50
CNR1 P21554 1/20 0.50
ACHE P22303 1/20 0.50
CNR2 P34972 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL13885836 0.91 PTGER4 (0.64) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1225871 0.89 PTGER4 (0.66) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29805498 0.89 PTGER4 (0.66) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16341196 0.88 PTGER4 (0.57) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16691703 0.87 PTGER4 (0.58) PTGER4P2RX4SLC16A3CNR1MEN1
SCHEMBL16341865 0.87 PTGER4 (0.66) PTGER4P2RX4CNR1CNR2ALDH1A1
SCHEMBL7299091 0.84 TSHR (0.56) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16341507 0.83 CHRM1 (0.58) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10164962 0.83 F2RL3 (0.64) PTGER4SLC16A3ALDH1A1F2RL3
SCHEMBL3213906 0.82 PTGER4 (0.61) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778035-B2 Process for the selective production of hydrocarbon based fuels from algae utilizing water at subcritical conditions OLD DOMINION UNIVERSITY RESEARCH FOUNDATION (US) 2014-07-15 US disclosed
US-20110314881-A1 Process for the Selective Production of Hydrocarbon Based Fuels from Algae Utilizing Water at Subcritical Conditions OLD DOMINION UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-29 US disclosed