SCHEMBL7800035

SCHEMBL7800035

CSc1oc2ccc(Br)cc2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA12 O43570 2/20 0.51
CA3 P07451 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA5A P35218 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA13 Q8N1Q1 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
GABRP O00591 6/20 0.41
GABRD O14764 6/20 0.41
GABRA1 P14867 6/20 0.41
GABRB1 P18505 6/20 0.41
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
GABRA5 P31644 6/20 0.41
GABRA3 P34903 6/20 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
SCHEMBL7800244 0.80 CA1 (0.55) CA1CA2CA12CA3CA4
SCHEMBL8716109 0.80 CSNK2A2 (0.50) CA1CA2CA12CA3CA4
SCHEMBL7125237 0.75 CA12 (0.48) CA1CA2CA12CA3CA4
SCHEMBL7152314 0.75 CA12 (0.45) CA1CA2CA12CA3CA4
SCHEMBL8713331 0.74 PTPN1 (0.49) CA12CA9GABRPGABRDGABRA1
SCHEMBL7809159 0.73 KMT2A (0.42) CA12CA9GABRPGABRDGABRA1
SCHEMBL9163 0.73 GABRP (0.58) CA1CA2CA12CA3CA4
SCHEMBL2521053 0.73 TTR (0.59) CA1CA2CA12CA3CA4
SCHEMBL8709977 0.72 MAPT (0.71) CA1CA2CA12CA9KMT2A
SCHEMBL8860 0.71 KDM4E (0.58) CA1CA2CA12CA9GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861242-B1 HETEROCYCLIC FUNGICIDES AVENTIS CROPSCIENCE UK LTD (GB) 2001-05-30 EP disclosed
US-6034121-A AGRICULTURE AGREVO UK LIMITED (GB) 2000-03-07 US disclosed
EP-0861242-A1 HETEROCYCLIC FUNGICIDES AgrEvo UK Limited (GB) 1998-09-02 EP disclosed
WO-1997013762-A1 HETEROCYCLIC FUNGICIDES AGREVO UK LIMITED (GB) 1997-04-17 WO disclosed