SCHEMBL9876882

SCHEMBL9876882

CN(C)CCCOc1ccc(-n2nc(-c3ccccc3)c3cccnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.52
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CXCR1 P25024 1/20 0.43
PSMB5 P28074 3/20 0.43
PSMB1 P20618 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KDR P35968 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PTGER1 P34995 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
PTPN1 P18031 1/20 0.41
TOP2A P11388 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
Maleic Acid SCHEMBL9236893 0.92 LSS (0.45) LSSCYP1A2CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL9236898 0.92 LSS (0.45) LSSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9876652 0.92 LSS (0.44) LSSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9876899 0.91 CXCR1 (0.45) LSSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9876756 0.91 LSS (0.43) LSSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9876810 0.90 TNK2 (0.46) LSSCYP1A2CYP2D6CYP2C9CYP2C19
Maleic Acid SCHEMBL9237511 0.90 BCHE (0.44) LSSCYP1A2CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL9237516 0.90 BCHE (0.44) LSSCYP1A2CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL9231005 0.88 LSS (0.45) LSSPSMB5PSMB1CCNA2CDK2
Maleic Acid SCHEMBL9230995 0.88 LSS (0.45) LSSPSMB5PSMB1CCNA2CDK2

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 3 patents. 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 claimed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP claimed
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed