SCHEMBL9007943

SCHEMBL9007943

CC(N=Nc1ccccc1)=NNc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.57
RAB9A P51151 10/20 0.55
GAA P10253 9/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
NPC1 O15118 7/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPT P10636 12/20 0.55
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
ADORA1 P30542 1/20 0.49
DYRK1A Q13627 1/20 0.49
SMN1; SMN2 Q16637 8/20 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
SCHEMBL9007939 1.00 HSP90AA1 (0.57) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL14129429 0.88 MAPT (0.52) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL21097694 0.83 HSP90AA1 (0.55) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL11332710 0.83 HSP90AA1 (0.55) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL11327597 0.83 HSP90AA1 (0.55) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL15730811 0.82 HSP90AA1 (0.50) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL11316602 0.82 RAB9A (0.50) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL13209095 0.80 HSP90AA1 (0.69) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL19119039 0.79 CSNK1D (0.46) HSP90AA1RAB9AGAAMEN1KMT2A
SCHEMBL9007956 0.77 MAPT (0.73) HSP90AA1RAB9AGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476457-B1 2-Benzothiazolyl tetrazolium salt indicators BAYER AG (US) 1996-12-04 EP disclosed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP disclosed
US-5300637-A Useful in determination of reducing substances MILES INC. (US) 1994-04-05 US disclosed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US disclosed
EP-0476454-A1 Analytical method using tetrazolium salt indicators having a reflectance plateau Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed