SCHEMBL12424949

SCHEMBL12424949

O=C1NC(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])=C2C(=O)NC(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])=C12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
F2 P00734 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43
HPD P32754 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
MAPK1 P28482 3/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL12424919 0.78 MAPK1 (0.46) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL12425015 0.77 TDP2 (0.46) TDP2
SCHEMBL29398386 0.73 ALDH1A1 (0.56) MASP2F2ALDH1A1CYP3A4HPGD
SCHEMBL1995690 0.73 ALDH1A1 (0.56) MASP2F2ALDH1A1CYP3A4HPGD
SCHEMBL12424951 0.73 STK10 (0.47) ALDH1A1TSHRTDP2LMNAMEN1
SCHEMBL2963618 0.73 ALDH1A1 (0.56) MASP2F2ALDH1A1CYP3A4HPGD
SCHEMBL29942185 0.72 ALDH1A1 (0.60) MASP2F2ALDH1A1CYP3A4HPGD
SCHEMBL7240751 0.72 ALDH1A1 (0.60) MASP2F2ALDH1A1CYP3A4HPGD
SCHEMBL12509636 0.70 TDP2 (0.40) ALDH1A1HPGDMAPTTDP2MEN1
SCHEMBL5961 0.70 ALDH1A1 (0.58) MASP2F2ALDH1A1CYP3A4HPGD

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-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed