SCHEMBL7809145

SCHEMBL7809145

CCc1c(NC(C)C)oc2ccc(Br)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HTT P42858 2/20 0.39
PIM1 P11309 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CDC7 O00311 1/20 0.36
PTPN1 P18031 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.35

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) LMNASMN1; SMN2KDM4EKMT2AESR1
SCHEMBL7809159 0.74 KMT2A (0.42) LMNASMN1; SMN2KDM4EKMT2AESR1
SCHEMBL7811469 0.74 KMT2A (0.45) LMNASMN1; SMN2KDM4EKMT2AESR1
SCHEMBL7811460 0.73 KDM4E (0.42) LMNASMN1; SMN2KDM4EKMT2AESR1
SCHEMBL2588529 0.69 PIM1 (0.58) LMNASMN1; SMN2KDM4EKMT2APIM1
SCHEMBL29416622 0.69 PIM1 (0.58) LMNASMN1; SMN2KDM4EKMT2APIM1
SCHEMBL5680363 0.69 KMT2A (0.42) LMNASMN1; SMN2KDM4EKMT2AESR1
SCHEMBL7253688 0.67 ESR1 (0.42) LMNAKMT2AESR1ESR2PIM1
SCHEMBL17522053 0.65 PTPN1 (0.58) SMN1; SMN2KMT2AHTTALDH1A1PTPN1
SCHEMBL10856491 0.65 TSHR (0.56) LMNASMN1; SMN2KDM4EKMT2AESR1

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