SCHEMBL7809159

SCHEMBL7809159

CCc1c(SC)oc2ccc(Br)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PIM1 P11309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PTPN1 P18031 1/20 0.38
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 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
SCHEMBL7805450 0.79 KMT2A (0.44) KMT2AESR1ESR2PIM1KDM4E
SCHEMBL8713331 0.78 PTPN1 (0.49) KMT2APIM1KDM4ELMNASMN1; SMN2
SCHEMBL7811469 0.77 KMT2A (0.45) KMT2AESR1ESR2PIM1KDM4E
SCHEMBL7811460 0.76 KDM4E (0.42) KMT2AESR1ESR2PIM1KDM4E
SCHEMBL7809145 0.74 LMNA (0.41) KMT2AESR1ESR2PIM1KDM4E
SCHEMBL7800035 0.73 CA1 (0.51) KMT2APIM1KDM4ELMNASMN1; SMN2
SCHEMBL8715528 0.72 TTR (0.42) KMT2ACA12CA9PTPN1POLB
SCHEMBL2588529 0.72 PIM1 (0.58) KMT2APIM1KDM4ELMNASMN1; SMN2
SCHEMBL29416622 0.72 PIM1 (0.58) KMT2APIM1KDM4ELMNASMN1; SMN2
SCHEMBL5680363 0.71 KMT2A (0.42) KMT2AESR1ESR2PIM1KDM4E

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