SCHEMBL9876810

SCHEMBL9876810

CN(C)CCOc1ccc(-c2nn(-c3ccccc3)c3ncccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.46
PSMB5 P28074 3/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
LTA4H P09960 2/20 0.45
LSS P48449 1/20 0.44
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
PTPN1 P18031 1/20 0.42
PSMB1 P20618 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TNKS O95271 1/20 0.41
ACHE P22303 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PAX8 Q06710 1/20 0.40
PTGER1 P34995 1/20 0.40

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
Fumaric Acid SCHEMBL9236957 0.92 PSMB5 (0.43) TNK2PSMB5CCNA2CDK2LTA4H
Maleic Acid SCHEMBL9236952 0.92 PSMB5 (0.43) TNK2PSMB5CCNA2CDK2LTA4H
SCHEMBL9877072 0.91 GSK3B (0.43) TNK2PSMB5LTA4HFGFR1SRC
SCHEMBL9876882 0.90 LSS (0.52) PSMB5CCNA2CDK2LSSFGFR1
SCHEMBL9234476 0.89 TNK2 (0.44) TNK2CCNA2CDK2LTA4HFGFR1
Fumaric Acid SCHEMBL9237418 0.88 PTGER1 (0.43) TNK2PSMB5CCNA2CDK2LTA4H
Maleic Acid SCHEMBL9237412 0.88 PTGER1 (0.43) TNK2PSMB5CCNA2CDK2LTA4H
Maleic Acid SCHEMBL9230995 0.87 LSS (0.45) PSMB5CCNA2CDK2LSSPSMB1
Fumaric Acid SCHEMBL9231005 0.87 LSS (0.45) PSMB5CCNA2CDK2LSSPSMB1
SCHEMBL9876652 0.86 LSS (0.44) PSMB5CCNA2CDK2LSSPTPN1

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