SCHEMBL9876899

SCHEMBL9876899

CN(C)CCCOc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.45
LSS P48449 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
AGER Q15109 2/20 0.40
KDR P35968 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PSMB5 P28074 3/20 0.40
PSMB1 P20618 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39

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 SCHEMBL9235684 0.92 POLB (0.42) CXCR1LSSCYP1A2CYP3A4CYP2C19
Fumaric Acid SCHEMBL9235689 0.92 POLB (0.42) CXCR1LSSCYP1A2CYP3A4CYP2C19
SCHEMBL9876652 0.91 LSS (0.44) LSSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9876882 0.91 LSS (0.52) CXCR1LSSCYP1A2CYP3A4CYP2D6
SCHEMBL9876856 0.90 KDM4E (0.43) CXCR1LSSCYP3A4CYP2D6CYP2C9
SCHEMBL9876756 0.90 LSS (0.43) CXCR1LSSCYP1A2CYP3A4CYP2D6
SCHEMBL9876909 0.87 LSS (0.44) CXCR1LSSCYP1A2CYP3A4CYP2D6
SCHEMBL9876810 0.85 TNK2 (0.46) LSSCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9876897 0.85 KDM4E (0.42) CCNA2CDK2AGERMAPTSMN1; SMN2
SCHEMBL9876809 0.85 HRH3 (0.49) CXCR1LSSCYP1A2CYP3A4CYP2D6

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