SCHEMBL3414663

SCHEMBL3414663

N#CSC(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
KMT2A Q03164 5/20 0.43
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 2/20 0.39
XBP1 P17861 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
PTPRF P10586 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
SCHEMBL15726703 0.89 HSD11B1 (0.38) HSD11B1KMT2AALDH1A1MAPTCNR1
SCHEMBL13186453 0.75 HSD11B1 (0.50) HSD11B1KMT2ACA12CA2CA9
SCHEMBL5648029 0.72 KMT2A (0.43) HSD11B1KMT2ACA12CA2CA9
SCHEMBL28402748 0.71 HSD11B1 (0.59) HSD11B1KMT2ACA12CA2CA9
SCHEMBL29072722 0.71 HSD11B1 (0.59) HSD11B1KMT2ACA12CA2CA9
SCHEMBL28402747 0.71 HSD11B1 (0.59) HSD11B1KMT2ACA12CA2CA9
SCHEMBL11652720 0.71 ALDH1A1 (0.45) HSD11B1KMT2ACA12CA2CA9
SCHEMBL10654750 0.68 CA2 (0.50) HSD11B1KMT2ACA12CA2CA9
SCHEMBL4073643 0.68 CA1 (0.50) HSD11B1KMT2ACA12CA2CA9
SCHEMBL31229591 0.67 KMT2A (0.43) HSD11B1KMT2ACA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264130-A2 Ims detection of chemical markers in petroleum products Authentix, Inc. (US) 2010-12-22 EP disclosed
US-7208451-B2 IMS detection of chemical markers in petroleum products AUTHENTIC INC. (US) 2007-04-24 US disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed