SCHEMBL9550693

SCHEMBL9550693

C#CCOc1n[c]ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
MGMT P16455 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL10933335 0.74 MAPK1 (0.61) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL2067883 0.74
SCHEMBL16568924 0.74
SCHEMBL5761914 0.71 ALDH1A1 (0.33)
SCHEMBL5832199 0.69 CDK1 (0.34) HSD17B10CDK1CCNB1CCNA2CDK2
SCHEMBL446036 0.69
SCHEMBL12483353 0.68
SCHEMBL5596934 0.67 LMNA (0.43) MAOBMAOA
SCHEMBL690812 0.67 MAPK1 (1.00) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL6438241 0.66 KDM4E (0.40) CDK2

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-0569384-A1 FUNGICIDES. ZENECA LTD (GB) 1993-11-18 EP disclosed
WO-1992013830-A1 FUNGICIDES ZENECA LIMITED (GB) 1992-08-20 WO disclosed