SCHEMBL3407384

SCHEMBL3407384

N#CSc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
TSHR P16473 3/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE7A Q13946 7/20 0.47
PDE7B Q9NP56 1/20 0.47
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38

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
SCHEMBL29350780 0.81 TXNRD1 (0.66) TDP1ALDH1A1TSHRMAPK1TXNRD1
SCHEMBL466008 0.81 TXNRD1 (0.66) TDP1ALDH1A1TSHRMAPK1TXNRD1
SCHEMBL10902894 0.81 TDP1 (0.44) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL9568533 0.80 ALDH1A1 (0.62) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL28121409 0.80 TXNRD1 (0.64) TDP1ALDH1A1TSHRMAPK1TXNRD1
SCHEMBL11144762 0.77 ALDH1A1 (0.59) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL29593492 0.77 ALDH1A1 (0.59) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL6089975 0.76 APEX1 (0.61) ALDH1A1TSHRMEN1POLBMAPT
SCHEMBL9358644 0.76 MAPT (0.56) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL4429309 0.76 ALDH1A1 (0.52) TDP1ALDH1A1L3MBTL1TXNRD1TXNRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242062-B2 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. (US) 2012-08-14 US disclosed
EP-2264130-A2 Ims detection of chemical markers in petroleum products Authentix, Inc. (US) 2010-12-22 EP disclosed
US-20070212785-A1 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2007-09-13 US disclosed
EP-1588174-A4 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX INC (US) 2007-04-25 EP disclosed
US-7208451-B2 IMS detection of chemical markers in petroleum products AUTHENTIC INC. (US) 2007-04-24 US disclosed
EP-1588174-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS Authentix, Inc. (US) 2005-10-26 EP disclosed
WO-2004068113-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2004-08-12 WO disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed