SCHEMBL9876835

SCHEMBL9876835

CCN(CC)CCOc1ccc(-n2nc(-c3ccc(Br)cc3)c3cccnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.42
PSMB5 P28074 2/20 0.41
PSMB1 P20618 1/20 0.41
PTPN1 P18031 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MCHR1 Q99705 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LSS P48449 2/20 0.39
BMP4 P12644 1/20 0.39
CYP1A2 P05177 1/20 0.38
LTA4H P09960 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
AGER Q15109 1/20 0.37

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
Maleic Acid SCHEMBL9238551 0.92 LSS (0.43) TNK2PSMB5PSMB1CCNA2CDK2
Fumaric Acid SCHEMBL9238560 0.92 LSS (0.43) TNK2PSMB5PSMB1CCNA2CDK2
SCHEMBL10593084 0.91 TNK2 (0.46) TNK2PSMB5PSMB1PTPN1CCNA2
SCHEMBL9876756 0.87 LSS (0.43) PSMB5PSMB1PTPN1CCNA2CDK2
Fumaric Acid SCHEMBL9235197 0.84 BCHE (0.44) TNK2PSMB5PSMB1MCHR1CYP1A2
Maleic Acid SCHEMBL9235189 0.84 BCHE (0.44) TNK2PSMB5PSMB1MCHR1CYP1A2
SCHEMBL9876810 0.80 TNK2 (0.46) TNK2PSMB5PSMB1PTPN1CCNA2
Maleic Acid SCHEMBL9230881 0.80 LSS (0.47) PSMB5PSMB1CCNA2CDK2LSS
Fumaric Acid SCHEMBL9230885 0.80 LSS (0.47) PSMB5PSMB1CCNA2CDK2LSS
SCHEMBL9876652 0.78 LSS (0.44) PSMB5PSMB1PTPN1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed