SCHEMBL5679743

SCHEMBL5679743

Cc1coc2ccc(Cl)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.61
ADORA3 P0DMS8 1/20 0.50
MAOB P27338 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOA P21397 3/20 0.46
KCNH2 Q12809 1/20 0.46
PDE10A Q9Y233 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
TTR P02766 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL2091508 0.85 PTPN1 (0.50) PTPN1ADORA3MAOBALDH1A1HSD17B10
SCHEMBL30715526 0.81 PTPN1 (0.65) PTPN1ADORA3MAOBALDH1A1HSD17B10
SCHEMBL29116305 0.81 PTPN1 (0.65) PTPN1ADORA3MAOBALDH1A1HSD17B10
SCHEMBL5013425 0.81 ALDH1A1 (0.58) MAOBALDH1A1MAOAMAPTGAA
SCHEMBL21400034 0.79 KCNH2 (0.60) PTPN1MAOBALDH1A1HSD17B10MAOA
SCHEMBL11578350 0.79 PTPN1 (0.61) PTPN1ADORA3MAOBALDH1A1HSD17B10
SCHEMBL28990323 0.79 PTPN1 (0.61) PTPN1ADORA3MAOBALDH1A1HSD17B10
SCHEMBL1618340 0.79 PTPN1 (0.61) PTPN1ADORA3MAOBALDH1A1HSD17B10
SCHEMBL14384453 0.79 PTPN1 (0.61) PTPN1MAOBALDH1A1MAOAPDE10A
SCHEMBL17734362 0.79 PTPN1 (0.61) PTPN1MAOBALDH1A1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1614685-A1 Process for preparing 2-chloro-6-Halogeno-3-alkyl-4H-chrom en-4-one or 2-chloro-3-alkyl-4H-chromen-4-one derivatives Bayer CropScience AG (DE) 2006-01-11 EP disclosed
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 US disclosed