SCHEMBL28098973

SCHEMBL28098973

Oc1cn(Cc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM5A P29375 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
CYP19A1 P11511 3/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TBXAS1 P24557 1/20 0.47
QPCT Q16769 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47

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
SCHEMBL19925217 0.78 HPGDS (0.53) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL28417071 0.78 HPGDS (0.49) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL1187114 0.78 KDM4E (0.50) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL6502452 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL19936854 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL25395574 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL1196872 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL3672494 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL2972635 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1
SCHEMBL1196868 0.77 HPGDS (0.51) HPGDSCYP3A4CYP2D6KDM4CCYP2E1

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
CN-105960441-B It is used to form the coating composition of the film with impact resistance 关西涂料株式会社 2019-04-16 CN disclosed
CN-105960441-A Coating composition for forming coating film having impact resistance 关西涂料株式会社 2016-09-21 CN disclosed