SCHEMBL7088652

SCHEMBL7088652

Cc1[c]c2ccccc2c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 1/20 0.44
HPRT1 P00492 1/20 0.44
CTSB P07858 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP6 P55212 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6153011 0.81 TDP1 (0.46) MAPTNPC1KDM4ES1PR4S1PR1
SCHEMBL7084589 0.79 TDP1 (0.45) MAPTNPC1KDM4ES1PR4S1PR1
SCHEMBL1138440 0.76 TDP1 (0.41) MAPTNPC1KDM4ES1PR4S1PR1
SCHEMBL292398 0.71 CYP1A2 (0.40) MAPTKDM4EHTTRAB9ATSHR
SCHEMBL12712555 0.71 TDP1 (0.54) MAPTNPC1KDM4ES1PR4S1PR1
SCHEMBL4574563 0.70 CYP3A4 (0.55) MAPTNPC1RAB9ANPSR1TSHR
SCHEMBL249714 0.69 TDP1 (0.52) TSHRTDP1HSD17B10HPRT1CTSB
SCHEMBL6245129 0.69 HPRT1 (0.78) MAPTNPC1KDM4ES1PR4S1PR1
SCHEMBL9652405 0.68 HTT (0.45) MAPTKDM4EHTTHSD17B10ALDH1A1
SCHEMBL9806470 0.68 CYP1A2 (0.46) MAPTKDM4EHTTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US claimed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
CN-1364161-A N-substituted perhydrodiazines BASF AG (DE) 2002-08-14 CN disclosed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed